data_4d4w_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 4d4w _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 ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 111.785 0.291 . . . . 1.86 111.785 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 4.16 90.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.048 -0.596 . . . . 1.6 112.191 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -113.27 -53.67 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.74 0.274 . . . . 2.66 111.74 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 p -79.3 154.41 29.13 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.911 -0.315 . . . . 1.39 111.609 -170.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.498 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.42 -53.32 8.88 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.811 0.694 . . . . 1.28 112.567 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.39 58.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.899 0.704 . . . . 1.1 112.899 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 91.3 m -77.92 -11.23 59.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.751 0.31 . . . . 0.66 111.494 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -87.11 -31.95 20.17 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.956 -0.757 . . . . 2.49 108.956 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 19' ' ' ALA . 47.8 t -73.52 139.45 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.806 -1.088 . . . . 1.19 109.727 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.2 p -115.95 -31.2 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.86 -0.336 . . . . 1.86 111.819 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -114.89 -177.55 3.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.073 0.463 . . . . 1.88 110.716 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.487 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.3 p-10 -66.76 120.6 13.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.207 0.527 . . . . 1.08 109.977 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 p -61.16 -23.2 65.38 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.764 -0.653 . . . . 0.99 111.779 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.11 12.49 82.37 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.087 -0.577 . . . . 0.88 113.61 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.47 25.05 4.11 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.462 0.912 . . . . 1.55 113.462 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.583 ' O ' HD11 ' A' ' 34' ' ' LEU . 39.2 m -109.04 144.19 37.37 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.916 -0.772 . . . . 0.95 108.916 172.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -48.47 -34.32 10.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.182 0.515 . . . . 2.17 110.183 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -79.71 -51.14 9.59 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.436 -0.802 . . . . 1.56 112.23 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.614 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 14.7 p -74.39 -0.69 18.08 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.87 -0.519 . . . . 1.18 112.377 -174.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.583 HD11 ' O ' ' A' ' 30' ' ' CYS . 6.8 mp -79.65 -21.73 44.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.384 -0.598 . . . . 1.74 109.384 167.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 115.513 -0.767 . . . . 1.72 111.299 179.348 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.2 mttp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.991 0.424 . . . . 3.21 111.047 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.3 t -53.11 119.27 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.246 -0.888 . . . . 0.57 111.271 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.96 3.44 10.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.467 -0.788 . . . . 1.91 111.021 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.3 mmp_? -98.79 22.25 10.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.49 0.662 . . . . 3.55 109.37 171.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -107.94 -14.06 14.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.047 0.927 . . . . 2.25 108.647 169.257 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -89.06 122.71 32.66 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.997 -1.456 . . . . 3.34 109.719 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.1 t -50.77 129.81 23.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.676 . . . . 0.71 111.807 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.89 -19.21 60.24 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.13 -0.487 . . . . 1.8 110.806 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -138.14 67.5 1.41 Allowed 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.144 -1.058 . . . . 3.96 108.144 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.9 mt . . . . . 0 C--O 1.236 0.38 0 O-C-N 124.082 0.864 . . . . 2.51 111.521 -175.503 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 23.7 p . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 112.234 0.457 . . . . 1.86 112.234 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.1 2.88 90.68 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.851 -0.69 . . . . 1.6 112.591 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -114.6 -40.14 3.64 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.055 0.391 . . . . 2.66 112.055 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -73.97 160.09 31.83 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.762 -0.199 . . . . 1.39 111.274 -172.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.642 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -45.25 -54.56 6.87 Favored 'General case' 0 C--N 1.333 -0.131 0 O-C-N 123.878 0.736 . . . . 1.28 111.582 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.07 -34.22 42.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 1.1 112.401 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.7 m -73.49 -28.1 61.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.716 0.293 . . . . 0.66 111.446 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -87.87 -22.57 24.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.249 -0.432 . . . . 2.49 110.316 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 19' ' ' ALA . 61.4 t -72.35 134.65 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.905 -0.589 . . . . 1.19 110.141 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 p -107.85 -35.44 6.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.836 0.31 . . . . 1.86 111.836 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -125.42 -178.9 4.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.752 0.31 . . . . 1.88 110.715 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -61.78 118.69 7.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.301 0.572 . . . . 1.08 110.257 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -62.34 -24.78 67.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.446 -0.797 . . . . 0.99 112.464 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 80.91 12.49 82.61 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.923 -0.656 . . . . 0.88 113.61 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.93 12.25 7.22 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.641 0.978 . . . . 1.55 113.641 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.61 ' O ' HD11 ' A' ' 34' ' ' LEU . 13.8 m -108.75 133.9 52.19 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.342 -0.984 . . . . 0.95 108.342 173.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 m -51.3 -23.57 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 2.17 110.699 174.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.8 m -79.36 -55.2 5.24 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.702 -0.681 . . . . 1.56 111.749 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 20.7 p -70.55 -8.47 51.65 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.969 0.414 . . . . 1.18 111.511 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.61 HD11 ' O ' ' A' ' 30' ' ' CYS . 6.1 mp -78.58 -18.11 55.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 1.74 110.728 172.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.464 -0.335 . . . . 1.72 110.342 -179.244 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.926 0.393 . . . . 3.21 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.492 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.3 t -52.94 130.97 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.587 -0.733 . . . . 0.57 111.109 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.76 -15.47 53.53 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.815 -0.629 . . . . 1.91 111.51 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.512 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 0.8 OUTLIER -97.0 34.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.439 0.638 . . . . 3.55 110.379 177.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -120.55 -30.37 4.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.639 -0.709 . . . . 2.25 109.667 172.242 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -82.87 115.5 21.78 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.899 -1.046 . . . . 3.34 109.793 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.62 128.59 26.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.528 -0.76 . . . . 0.71 111.421 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.428 HD12 ' NH2' ' A' ' 51' ' ' ARG . 3.0 mm? -79.73 -5.19 54.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.164 -0.471 . . . . 1.8 110.963 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 27.1 mtp180 -142.92 67.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.028 -0.533 . . . . 3.96 110.214 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 121.157 0.504 . . . . 2.51 110.13 179.012 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p . . . . . 0 CA--C 1.533 0.307 0 CA-C-O 120.759 0.314 . . . . 1.86 111.37 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.45 -6.96 74.74 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.231 -0.509 . . . . 1.6 113.411 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -113.75 -30.25 6.83 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.053 0.76 . . . . 2.66 113.053 -173.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -75.46 166.04 24.19 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.814 -0.355 . . . . 1.39 111.245 -173.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.616 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -47.38 -60.45 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.864 0.728 . . . . 1.28 111.624 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -50.84 -33.45 23.81 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.78 0.659 . . . . 1.1 112.78 -178.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.6 m -69.49 -31.68 70.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.66 111.268 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -89.62 -17.26 28.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.289 -0.414 . . . . 2.49 110.938 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.616 HG21 ' O ' ' A' ' 19' ' ' ALA . 60.4 t -74.75 128.59 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.514 -0.312 . . . . 1.19 110.229 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 p -121.31 -12.61 8.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.224 0.535 . . . . 1.86 110.757 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -120.78 176.95 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 1.88 110.48 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.1 p-10 -67.57 110.25 3.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.055 -0.52 . . . . 1.08 109.644 171.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 p -59.12 -28.57 66.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.646 -0.706 . . . . 0.99 111.977 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.61 13.06 65.8 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.817 -0.706 . . . . 0.88 113.205 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.67 18.5 6.8 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.195 0.813 . . . . 1.55 113.195 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.568 ' O ' HD11 ' A' ' 34' ' ' LEU . 4.6 m -123.27 133.31 54.19 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.729 -0.841 . . . . 0.95 108.729 173.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 t -52.57 -19.58 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.049 0.452 . . . . 2.17 110.982 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.86 -58.14 3.45 Favored 'General case' 0 N--CA 1.433 -1.306 0 C-N-CA 123.124 0.57 . . . . 1.56 111.232 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.4 p -69.59 -15.32 63.19 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.66 0.267 . . . . 1.18 111.397 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.568 HD11 ' O ' ' A' ' 30' ' ' CYS . 5.1 mp -75.04 -11.02 60.01 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.477 -0.329 . . . . 1.74 111.209 176.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.347 . . . . 1.72 110.143 178.732 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 mttt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 110.044 -0.354 . . . . 3.21 110.044 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 46.1 t -45.82 119.19 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.51 0.506 . . . . 0.57 111.381 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 41.9 mt-10 -66.28 -20.24 66.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.942 -0.572 . . . . 1.91 111.668 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 27.8 mmm180 -90.94 35.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.294 0.568 . . . . 3.55 110.282 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 mmm-85 -110.15 -30.77 7.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.594 -0.73 . . . . 2.25 109.805 172.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 53' ' ' ARG . 17.5 ptt-85 -81.23 127.11 32.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.164 -0.925 . . . . 3.34 109.859 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 48.5 t -53.43 127.31 24.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.912 -0.586 . . . . 0.71 111.236 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.34 -20.12 59.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 1.8 110.569 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -110.38 3.01 19.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.251 -0.431 . . . . 3.96 110.285 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.441 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 5.8 mt . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 114.868 -1.06 . . . . 2.51 111.639 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 121.008 0.432 . . . . 1.86 111.495 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 72.49 -0.62 41.01 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.932 -0.577 . . . . 1.6 113.732 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -108.68 -25.39 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.144 0.472 . . . . 2.66 112.067 -176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.5 m -77.91 157.6 29.73 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.653 -0.499 . . . . 1.39 109.653 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.48 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -46.29 -62.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.676 0.274 . . . . 1.28 111.455 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.43 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 1.1 111.916 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.423 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 53.2 m -75.86 -15.65 60.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.747 0.308 . . . . 0.66 111.666 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 48.2 mt-30 -90.29 -17.26 27.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.492 0.663 . . . . 2.49 109.808 172.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 19' ' ' ALA . 60.1 t -77.35 136.28 24.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.308 -0.86 . . . . 1.19 109.013 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.419 HG21 ' HG3' ' A' ' 25' ' ' GLU . 9.8 t -132.63 -15.51 2.73 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.716 -0.394 . . . . 1.86 111.847 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.419 ' HG3' HG21 ' A' ' 24' ' ' THR . 49.7 mt-10 -132.22 178.33 6.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.772 0.32 . . . . 1.88 110.643 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -66.42 109.33 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.838 0.828 . . . . 1.08 110.124 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -26.18 68.67 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.972 -1.013 . . . . 0.99 112.212 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.68 9.93 84.95 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.868 -0.682 . . . . 0.88 113.836 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.58 34.9 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.476 0.638 . . . . 1.55 111.828 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' O ' HD11 ' A' ' 34' ' ' LEU . 2.7 m -132.81 152.74 51.75 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 119.376 -0.345 . . . . 0.95 110.283 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 t -48.71 -49.36 38.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 2.17 111.045 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -76.12 -34.89 59.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.981 0.42 . . . . 1.56 111.291 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.5 m -64.76 -31.76 73.13 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.895 0.379 . . . . 1.18 110.857 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.448 HD11 ' O ' ' A' ' 30' ' ' CYS . 8.1 mp -78.14 0.54 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 1.74 111.929 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 110.2 -0.296 . . . . 1.72 110.2 178.068 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp . . . . . 0 C--O 1.233 0.237 0 N-CA-C 109.194 -0.669 . . . . 3.21 109.194 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t -52.74 135.31 35.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.57 111.556 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.432 ' C ' ' HE ' ' A' ' 51' ' ' ARG . 20.0 mm-40 -63.88 -17.67 63.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.085 -0.961 . . . . 1.91 111.625 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HE ' ' C ' ' A' ' 50' ' ' GLU . 2.3 mmp_? -100.09 16.44 24.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.1 0.476 . . . . 3.55 110.639 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 52' ' ' ARG . 1.7 mmp_? -116.83 25.23 10.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.588 0.709 . . . . 2.25 109.521 174.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -148.76 131.54 16.02 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.948 -1.024 . . . . 3.34 109.295 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.4 t -53.69 145.84 14.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.804 -0.634 . . . . 0.71 111.78 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -80.86 -4.83 56.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.376 -0.829 . . . . 1.8 110.07 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -125.3 -47.87 1.73 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.999 -0.546 . . . . 3.96 110.532 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 2.51 110.872 -178.681 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 113.12 0.785 . . . . 1.86 113.12 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.54 -5.08 85.59 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.869 -0.681 . . . . 1.6 113.249 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -110.49 -34.59 6.27 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.548 0.573 . . . . 2.66 112.548 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -76.59 166.76 22.94 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 111.812 0.301 . . . . 1.39 111.812 -172.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.53 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -48.28 -55.53 10.35 Favored 'General case' 0 C--O 1.225 -0.228 0 O-C-N 123.718 0.636 . . . . 1.28 111.692 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -54.12 -30.34 48.4 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.465 0.542 . . . . 1.1 112.465 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.2 m -77.26 -26.5 52.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.329 -0.396 . . . . 0.66 111.517 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -86.78 -29.48 22.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.147 -0.478 . . . . 2.49 110.169 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 19' ' ' ALA . 49.6 t -72.3 134.53 29.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.114 -0.698 . . . . 1.19 109.114 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.2 p -108.2 -32.06 7.65 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.936 0.347 . . . . 1.86 111.936 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -127.19 -168.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.208 0.528 . . . . 1.88 111.101 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.84 117.96 6.56 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.402 -0.817 . . . . 1.08 110.289 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 p -61.9 -26.07 67.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.627 -0.715 . . . . 0.99 112.007 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.419 ' C ' HD12 ' A' ' 34' ' ' LEU . . . 85.18 12.75 72.88 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.872 -0.68 . . . . 0.88 113.118 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.84 6.24 6.66 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.577 0.955 . . . . 1.55 113.577 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.628 ' O ' HD11 ' A' ' 34' ' ' LEU . 21.0 m -103.86 138.03 41.02 Favored 'General case' 0 CA--C 1.515 -0.393 0 O-C-N 121.499 -0.751 . . . . 0.95 109.408 175.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 t -51.75 -26.81 10.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.388 0.613 . . . . 2.17 110.0 172.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -80.19 -55.06 5.19 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.36 -0.836 . . . . 1.56 112.183 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.576 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 25.8 p -70.06 -9.51 55.62 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.924 -0.485 . . . . 1.18 112.006 -175.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.628 HD11 ' O ' ' A' ' 30' ' ' CYS . 5.7 mp -79.21 -7.98 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.932 0.345 . . . . 1.74 111.932 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.821 0.343 . . . . 1.72 111.183 -178.694 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.921 0.391 . . . . 3.21 110.337 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.576 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.4 t -54.48 122.78 11.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.524 -0.762 . . . . 0.57 110.071 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.485 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 21.2 mt-10 -64.92 -20.09 66.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.371 -0.831 . . . . 1.91 111.628 -174.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.509 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 23.4 mmt180 -102.8 35.69 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.36 0.6 . . . . 3.55 110.681 173.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.4 -29.18 7.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.553 -0.749 . . . . 2.25 109.732 168.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -81.05 122.27 27.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.217 -0.901 . . . . 3.34 109.46 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.0 t -53.14 132.32 38.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.085 -0.961 . . . . 0.71 112.092 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 55' ' ' LEU . 2.9 mm? -78.05 -4.04 45.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.88 -0.6 . . . . 1.8 110.418 176.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -141.13 58.43 1.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.47 -0.787 . . . . 3.96 109.862 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--N 1.331 -0.236 0 N-CA-C 109.707 -0.479 . . . . 2.51 109.707 -178.461 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 CA--C 1.531 0.229 0 CA-C-O 120.749 0.309 . . . . 1.86 111.522 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.444 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 79.89 -5.56 61.7 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.151 -0.547 . . . . 1.6 112.46 -176.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -103.6 -46.38 4.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.741 0.305 . . . . 2.66 111.105 -177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -73.64 152.43 40.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.44 -0.345 . . . . 1.39 110.291 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.63 -63.88 0.86 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.644 0.59 . . . . 1.28 111.789 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -25.93 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.103 0.478 . . . . 1.1 112.053 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 73.8 m -81.44 -9.87 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.275 -0.421 . . . . 0.66 111.909 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 73.2 mt-30 -87.99 -28.84 21.17 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.604 -0.888 . . . . 2.49 108.604 170.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 19' ' ' ALA . 26.1 t -77.1 143.91 12.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.165 -1.38 . . . . 1.19 110.153 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.7 m -127.66 -23.88 3.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.021 0.439 . . . . 1.86 110.887 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -120.01 -177.94 3.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.924 0.393 . . . . 1.88 110.516 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.1 p30 -64.59 117.2 7.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.248 0.547 . . . . 1.08 110.182 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 p -59.96 -26.24 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.574 -0.739 . . . . 0.99 112.338 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.498 ' O ' HD22 ' A' ' 34' ' ' LEU . . . 82.88 15.45 72.75 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.873 -0.68 . . . . 0.88 112.993 -178.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.09 -3.34 8.55 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.823 0.675 . . . . 1.55 112.823 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.422 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 10.8 m -96.69 134.82 39.46 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.379 -0.971 . . . . 0.95 108.379 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -50.82 -27.3 7.04 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.544 0.527 . . . . 2.17 110.46 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -78.39 -53.75 6.93 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.382 -0.827 . . . . 1.56 111.749 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.536 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.5 p -70.42 -13.88 62.32 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.912 -0.493 . . . . 1.18 111.463 -176.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 28' ' ' GLY . 88.5 mt -76.75 -11.06 59.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.897 0.379 . . . . 1.74 111.259 175.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.592 -0.276 . . . . 1.72 110.56 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.839 0.352 . . . . 3.21 110.334 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 34.8 t -55.79 123.75 15.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.918 -0.583 . . . . 0.57 110.055 171.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 5.5 mm-40 -64.15 -15.18 59.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.007 -0.542 . . . . 1.91 111.187 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -94.86 37.33 1.15 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.26 0.553 . . . . 3.55 110.53 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -122.7 -9.44 8.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.537 -0.756 . . . . 2.25 110.682 173.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 16.9 ptm180 -87.11 120.31 28.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.6 -0.727 . . . . 3.34 110.531 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.452 ' SG ' HG12 ' A' ' 57' ' ' ILE . 42.9 t -53.08 125.39 17.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.823 -0.626 . . . . 0.71 111.723 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.37 -25.25 39.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 1.8 111.113 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -144.64 79.58 1.61 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.93 -0.767 . . . . 3.96 108.93 -172.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.452 HG12 ' SG ' ' A' ' 54' ' ' CYS . 15.4 mt . . . . . 0 C--N 1.317 -0.845 0 CA-C-O 121.603 0.716 . . . . 2.51 111.033 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 21.3 p . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 112.718 0.636 . . . . 1.86 112.718 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.81 3.2 72.93 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.836 -0.697 . . . . 1.6 113.129 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.5 -35.03 4.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.325 0.491 . . . . 2.66 112.325 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 p -77.94 157.68 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.555 -0.458 . . . . 1.39 110.871 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -44.87 -53.32 7.68 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.751 0.657 . . . . 1.28 112.088 -177.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -53.35 -32.42 49.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.595 0.591 . . . . 1.1 112.595 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.0 m -75.18 -23.65 57.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.765 0.317 . . . . 0.66 111.557 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -85.85 -26.28 25.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.411 0.624 . . . . 2.49 109.564 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 19' ' ' ALA . 38.9 t -78.26 149.46 5.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.001 -0.999 . . . . 1.19 109.457 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -130.25 -30.12 1.97 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.742 -0.383 . . . . 1.86 111.53 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -117.89 -168.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.006 -0.368 . . . . 1.88 110.006 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.41 109.03 0.9 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.197 -0.668 . . . . 1.08 109.197 172.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.9 p -58.21 -28.45 64.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.561 -0.745 . . . . 0.99 112.422 -175.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' C ' HD12 ' A' ' 34' ' ' LEU . . . 83.35 22.18 57.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.88 112.905 -177.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.2 -6.25 4.86 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.377 0.88 . . . . 1.55 113.377 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.583 ' O ' HD11 ' A' ' 34' ' ' LEU . 8.3 m -98.86 134.55 41.57 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.853 -0.795 . . . . 0.95 108.853 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 p -49.36 -29.27 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.469 0.481 . . . . 2.17 111.174 176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m -78.94 -50.62 10.87 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.967 -0.56 . . . . 1.56 111.999 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.5 p -70.44 -14.14 62.42 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.658 -0.651 . . . . 1.18 111.028 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.583 HD11 ' O ' ' A' ' 30' ' ' CYS . 8.3 mp -78.07 -11.2 59.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.228 -0.442 . . . . 1.74 111.387 174.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 110.4 -0.222 . . . . 1.72 110.4 -178.502 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mttp . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.884 0.373 . . . . 3.21 111.256 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 30.6 t -55.33 114.32 1.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.899 -0.778 . . . . 0.57 108.899 167.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.05 -24.07 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 1.91 111.354 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 21.8 mmt180 -90.22 28.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.321 0.581 . . . . 3.55 110.472 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -116.95 -10.64 10.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.833 0.825 . . . . 2.25 109.371 168.295 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -92.1 109.94 21.31 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.426 -1.261 . . . . 3.34 109.53 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.6 t -50.59 120.24 4.52 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.367 0.417 . . . . 0.71 111.291 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.93 -3.21 43.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 1.8 110.858 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 95.6 mtt180 -138.67 64.07 1.5 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.766 -0.457 . . . . 3.96 109.766 -176.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.907 -0.588 . . . . 2.51 110.283 -178.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.5 p . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.904 0.383 . . . . 1.86 111.359 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.85 -6.7 54.24 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.892 -0.671 . . . . 1.6 113.159 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -108.17 -34.23 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.175 0.435 . . . . 2.66 112.175 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 p -77.66 157.83 30.0 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.528 -0.469 . . . . 1.39 110.532 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.568 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -44.56 -57.94 3.31 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.123 0.889 . . . . 1.28 112.554 -176.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.11 -32.35 54.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.966 0.728 . . . . 1.1 112.966 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 m -72.69 -23.15 60.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.66 111.237 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -86.67 -25.9 24.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.2 0.524 . . . . 2.49 110.018 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.568 HG21 ' O ' ' A' ' 19' ' ' ALA . 21.8 t -75.23 122.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.49 -0.777 . . . . 1.19 109.542 176.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -98.79 -26.42 14.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.861 0.362 . . . . 1.86 111.629 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -126.05 -172.08 2.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.066 0.46 . . . . 1.88 110.409 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -63.84 116.38 5.73 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.91 -0.774 . . . . 1.08 108.91 170.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 p -58.89 -26.47 64.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.028 0.751 . . . . 0.99 113.028 -171.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.418 ' C ' HD12 ' A' ' 34' ' ' LEU . . . 80.39 19.25 69.39 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.804 -0.712 . . . . 0.88 112.832 -178.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.63 3.14 5.0 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.206 0.817 . . . . 1.55 113.206 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.569 ' O ' HD11 ' A' ' 34' ' ' LEU . 20.4 m -100.28 134.32 43.38 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.558 -0.904 . . . . 0.95 108.558 176.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 t -52.94 -22.58 5.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.143 0.497 . . . . 2.17 109.815 172.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.3 m -79.48 -55.91 4.7 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.489 -0.778 . . . . 1.56 111.983 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.542 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 28.3 p -70.02 -13.03 62.04 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.901 -0.5 . . . . 1.18 111.848 -175.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.569 HD11 ' O ' ' A' ' 30' ' ' CYS . 9.1 mp -80.23 -3.79 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.626 -0.261 . . . . 1.74 111.399 175.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 110.194 -0.299 . . . . 1.72 110.194 179.421 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.655 0.264 . . . . 3.21 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 44.3 t -52.52 121.24 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.57 109.965 172.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.95 0.04 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.977 -0.556 . . . . 1.91 111.749 -176.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -102.75 34.1 2.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.919 0.39 . . . . 3.55 110.117 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.508 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -120.57 -19.97 7.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.557 0.694 . . . . 2.25 110.565 175.309 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -81.03 117.7 21.86 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.886 -1.052 . . . . 3.34 110.167 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.5 t -52.22 121.13 6.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.68 -0.691 . . . . 0.71 110.95 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -78.71 -2.98 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.209 0.528 . . . . 1.8 110.539 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -139.08 64.15 1.48 Allowed 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.517 -0.92 . . . . 3.96 108.517 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.1 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 121.492 0.663 . . . . 2.51 112.247 -172.208 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 112.193 0.442 . . . . 1.86 112.193 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.38 -10.68 63.26 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.746 -0.74 . . . . 1.6 112.949 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -105.67 -32.91 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.608 0.595 . . . . 2.66 112.608 -173.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' SG ' HD21 ' A' ' 55' ' ' LEU . 12.2 p -80.08 165.51 22.44 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.61 -0.436 . . . . 1.39 110.998 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -43.96 -67.51 0.27 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.948 0.78 . . . . 1.28 112.773 -176.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.38 -29.14 33.08 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.653 0.612 . . . . 1.1 112.653 -176.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 m -73.22 -32.46 64.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.686 0.254 . . . . 0.66 111.686 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -86.84 0.88 54.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.171 0.51 . . . . 2.49 111.161 -176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 19' ' ' ALA . 31.7 t -80.76 160.73 3.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.606 -0.725 . . . . 1.19 109.69 176.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.3 m -124.74 -45.39 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.816 0.341 . . . . 1.86 111.374 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -106.55 170.86 7.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.322 -0.399 . . . . 1.88 110.716 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.57 134.79 50.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.333 -0.618 . . . . 1.08 109.333 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 p -64.81 -24.4 67.54 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.568 0.581 . . . . 0.99 112.568 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.08 18.51 79.37 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 121.141 -0.552 . . . . 0.88 113.604 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.0 19.61 3.78 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.754 1.02 . . . . 1.55 113.754 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.565 ' O ' HD11 ' A' ' 34' ' ' LEU . 22.5 m -111.05 150.86 28.74 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.661 -0.65 . . . . 0.95 109.421 174.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -52.09 -32.29 34.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.461 0.648 . . . . 2.17 110.155 171.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.27 -56.24 4.82 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.289 -0.868 . . . . 1.56 112.342 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.8 p -69.3 -12.55 61.76 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.676 -0.409 . . . . 1.18 111.809 -176.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.565 HD11 ' O ' ' A' ' 30' ' ' CYS . 7.3 mp -79.35 -4.56 51.5 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.9 0.333 . . . . 1.74 111.9 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 110.236 -0.283 . . . . 1.72 110.236 178.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 mttp . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.568 0.223 . . . . 3.21 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 42.2 t -47.07 124.86 6.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.812 -0.631 . . . . 0.57 110.814 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.6 -17.8 64.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.91 111.267 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -87.62 27.23 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.472 0.654 . . . . 3.55 110.176 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.467 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -115.44 -13.78 11.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.419 -0.81 . . . . 2.25 109.209 172.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -90.82 126.04 35.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.339 -0.846 . . . . 3.34 109.848 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 45.8 t -50.84 138.3 19.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.135 -0.484 . . . . 0.71 110.056 174.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.416 HD21 ' SG ' ' A' ' 18' ' ' CYS . 3.6 mm? -72.24 -30.26 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 1.8 111.164 -173.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -104.04 -3.93 23.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.951 0.405 . . . . 3.96 111.138 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.487 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 28.4 mt . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 115.147 -0.933 . . . . 2.51 111.357 -173.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.924 0.392 . . . . 1.86 111.386 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.37 2.41 73.8 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 121.101 -0.571 . . . . 1.6 113.041 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -114.16 -36.19 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.103 0.408 . . . . 2.66 112.103 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -77.94 159.57 28.76 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.225 -0.297 . . . . 1.39 111.048 -175.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.608 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -47.04 -55.19 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.895 0.747 . . . . 1.28 111.727 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -51.35 -35.55 38.96 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.774 0.657 . . . . 1.1 112.774 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.6 m -71.75 -29.95 65.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.66 111.169 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -89.25 -21.17 23.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.457 -0.338 . . . . 2.49 111.284 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.608 HG21 ' O ' ' A' ' 19' ' ' ALA . 65.1 t -73.39 129.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 1.19 110.118 178.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.2 p -112.95 -25.1 9.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 1.86 111.462 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.44 -177.9 3.27 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.771 -0.455 . . . . 1.88 109.771 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -68.36 110.24 4.01 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.853 -0.795 . . . . 1.08 108.853 169.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -27.65 67.48 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.201 0.815 . . . . 0.99 113.201 -167.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 17.93 73.94 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.782 -0.723 . . . . 0.88 113.667 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.77 31.41 2.51 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.346 0.869 . . . . 1.55 113.346 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.594 ' O ' HD11 ' A' ' 34' ' ' LEU . 8.2 m -131.72 157.13 44.58 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 121.743 -0.598 . . . . 0.95 110.379 172.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.6 t -48.23 -48.07 35.39 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 123.424 0.452 . . . . 2.17 111.481 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.44 ' HB ' ' OE1' ' A' ' 50' ' ' GLU . 23.4 m -79.48 -43.85 22.4 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.534 0.568 . . . . 1.56 112.534 -173.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.596 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 24.4 p -69.27 -12.57 61.78 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.581 -0.7 . . . . 1.18 111.539 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 30' ' ' CYS . 5.3 mp -77.38 -13.78 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.99 0.424 . . . . 1.74 110.819 172.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 1.72 110.797 178.722 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.898 0.38 . . . . 3.21 110.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.596 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 15.3 t -53.36 121.73 8.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.314 -0.857 . . . . 0.57 112.007 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' OE1' ' HB ' ' A' ' 32' ' ' THR . 3.4 mp0 -65.28 -17.98 64.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.862 -1.063 . . . . 1.91 111.743 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HG3' ' SG ' ' A' ' 30' ' ' CYS . 99.4 mtt180 -96.07 39.95 1.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.256 0.55 . . . . 3.55 110.314 176.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -114.61 -34.36 5.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.375 -0.83 . . . . 2.25 109.854 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -76.29 125.51 29.31 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.163 -0.926 . . . . 3.34 109.757 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -51.12 123.76 10.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.603 -0.726 . . . . 0.71 111.178 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.88 -10.51 59.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 1.8 110.597 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -133.4 55.63 1.89 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.174 -0.466 . . . . 3.96 110.087 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 2.51 110.862 -179.58 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 112.204 0.446 . . . . 1.86 112.204 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.26 -2.29 77.27 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.96 -0.638 . . . . 1.6 113.523 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -116.26 -31.05 5.76 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.757 0.651 . . . . 2.66 112.757 -175.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -74.85 157.22 35.47 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 120.674 -0.41 . . . . 1.39 110.806 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.634 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -44.22 -56.73 3.9 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 124.025 0.828 . . . . 1.28 111.463 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -53.18 -30.73 39.05 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.974 0.731 . . . . 1.1 112.974 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 m -71.75 -31.97 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.66 111.011 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -90.54 -21.49 21.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.887 -0.597 . . . . 2.49 111.234 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.634 HG21 ' O ' ' A' ' 19' ' ' ALA . 46.7 t -74.47 133.73 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.97 -0.381 . . . . 1.19 109.97 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -105.47 -37.14 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.787 0.327 . . . . 1.86 111.747 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.77 -172.8 2.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.416 -0.356 . . . . 1.88 110.463 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.7 p-10 -65.45 125.64 25.77 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.348 -0.612 . . . . 1.08 109.348 174.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.2 p -63.89 -26.81 68.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.663 -0.699 . . . . 0.99 111.855 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.23 10.85 83.14 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.034 -0.603 . . . . 0.88 113.155 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.15 28.26 4.12 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.356 0.873 . . . . 1.55 113.356 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.565 ' O ' HD11 ' A' ' 34' ' ' LEU . 32.8 m -114.89 141.93 47.27 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.194 -1.039 . . . . 0.95 108.194 170.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.526 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 13.7 t -51.97 -30.53 25.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.514 -0.551 . . . . 2.17 109.514 171.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -77.82 -50.87 11.45 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.629 -0.714 . . . . 1.56 112.224 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.596 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 24.8 p -73.03 -5.46 38.99 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.708 -0.62 . . . . 1.18 111.597 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.565 HD11 ' O ' ' A' ' 30' ' ' CYS . 5.9 mp -83.04 -23.28 33.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.156 0.503 . . . . 1.74 109.837 170.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 31' ' ' SER . 82.0 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.594 -0.73 . . . . 1.72 109.987 175.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.8 tptm . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 108.902 -0.777 . . . . 3.21 108.902 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.596 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 53.1 t -51.07 121.64 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.614 0.721 . . . . 0.57 111.306 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.474 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 25.4 mt-10 -66.93 -16.26 64.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.869 -1.06 . . . . 1.91 111.336 -177.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.487 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 25.4 mmm180 -90.6 28.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.417 0.627 . . . . 3.55 109.929 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -115.64 -5.8 12.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.981 0.896 . . . . 2.25 109.102 171.098 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -100.43 111.46 23.73 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.264 -1.335 . . . . 3.34 109.952 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.8 t -51.45 125.67 15.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 0.71 111.174 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.2 -9.85 58.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.8 110.982 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 56' ' ' ARG . 8.2 mtm180 -137.88 67.06 1.43 Allowed 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.052 -0.722 . . . . 3.96 109.052 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.8 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 121.143 0.497 . . . . 2.51 110.173 178.35 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 19.1 p . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 112.178 0.436 . . . . 1.86 112.178 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.14 -4.22 85.9 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.717 -0.754 . . . . 1.6 113.022 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -110.91 -35.64 5.89 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.474 0.546 . . . . 2.66 112.474 -175.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 p -75.46 158.01 33.25 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.791 -0.364 . . . . 1.39 110.836 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.31 -55.61 5.77 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.827 0.705 . . . . 1.28 112.177 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.82 22.98 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.033 0.753 . . . . 1.1 113.033 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 m -77.44 -21.69 52.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.66 111.672 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -89.71 -28.04 19.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.312 0.577 . . . . 2.49 109.977 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 19' ' ' ALA . 35.2 t -76.48 122.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.438 -0.801 . . . . 1.19 109.793 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.9 p -104.07 -14.01 16.07 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.157 0.428 . . . . 1.86 112.157 -175.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -131.44 -172.9 2.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.925 -0.398 . . . . 1.88 109.925 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.422 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.5 p-10 -63.47 116.66 5.78 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.931 -0.766 . . . . 1.08 108.931 171.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -61.31 -23.22 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.741 -0.663 . . . . 0.99 112.495 -172.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.417 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 77.38 14.19 82.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.829 -0.701 . . . . 0.88 113.077 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -130.21 22.37 5.24 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.084 0.772 . . . . 1.55 113.084 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.53 ' O ' HD11 ' A' ' 34' ' ' LEU . 13.9 m -118.6 136.51 53.84 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.54 -0.911 . . . . 0.95 108.54 170.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 m -52.38 -21.48 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.075 0.464 . . . . 2.17 110.518 172.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -59.02 2.95 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.696 -0.684 . . . . 1.56 111.769 176.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 31.1 p -69.34 -13.06 62.17 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.15 -0.344 . . . . 1.18 111.721 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.53 HD11 ' O ' ' A' ' 30' ' ' CYS . 6.6 mp -76.53 -12.3 60.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.007 0.432 . . . . 1.74 111.015 174.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 109.116 -0.698 . . . . 1.72 109.116 175.051 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.443 -0.206 . . . . 3.21 110.443 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 41.9 t -52.19 105.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.012 0.434 . . . . 0.57 109.847 172.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.86 -27.81 68.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.573 . . . . 1.91 111.002 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -88.08 33.57 0.73 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 3.55 110.663 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.405 ' HG2' ' SG ' ' A' ' 49' ' ' CYS . 20.1 mmm-85 -114.66 -10.63 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.683 0.754 . . . . 2.25 109.114 167.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -81.89 115.35 21.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.521 -1.218 . . . . 3.34 109.037 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.46 ' HB3' HG12 ' A' ' 57' ' ' ILE . 48.7 t -52.55 116.41 2.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.71 110.141 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.56 -18.12 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 1.8 111.071 -174.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 31.0 mtm-85 -140.45 71.88 1.38 Allowed 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.958 -0.756 . . . . 3.96 108.958 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 HG12 ' HB3' ' A' ' 54' ' ' CYS . 82.1 mt . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.005 -0.543 . . . . 2.51 110.731 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 18.2 p . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 112.222 0.452 . . . . 1.86 112.222 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.74 -3.94 81.17 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.919 -0.658 . . . . 1.6 112.926 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -110.61 -36.7 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.437 0.532 . . . . 2.66 112.437 -175.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 p -75.17 157.25 34.89 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.897 -0.321 . . . . 1.39 111.07 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.567 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.53 -52.54 10.25 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.848 0.717 . . . . 1.28 111.679 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -50.61 -38.44 45.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.796 -0.638 . . . . 1.1 112.087 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 m -72.37 -24.39 61.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.428 -0.351 . . . . 0.66 111.728 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -90.14 -20.8 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.957 0.408 . . . . 2.49 110.708 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.567 HG21 ' O ' ' A' ' 19' ' ' ALA . 98.5 t -72.6 -44.74 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.922 -0.581 . . . . 1.19 110.692 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.8 p 62.16 -17.02 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.091 1.356 . . . . 1.86 114.277 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 23' ' ' VAL . 31.9 mt-10 -132.48 174.02 10.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.435 -0.209 . . . . 1.88 110.435 -175.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.87 105.25 2.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 1.08 109.678 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.1 p -62.8 -23.33 67.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.74 -0.664 . . . . 0.99 112.774 -172.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.52 10.94 71.7 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 121.189 -0.529 . . . . 0.88 113.59 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.18 28.81 4.71 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.797 0.665 . . . . 1.55 112.797 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.8 m -104.3 155.79 18.45 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.931 -0.766 . . . . 0.95 108.931 170.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.8 m -49.72 -39.66 37.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.15 0.5 . . . . 2.17 110.205 172.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.5 m -80.96 -52.19 7.71 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.982 0.734 . . . . 1.56 112.982 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.538 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.0 p -68.33 -7.04 27.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.68 -0.637 . . . . 1.18 111.628 -173.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.09 -13.79 60.51 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.671 0.272 . . . . 1.74 111.22 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 111.636 0.235 . . . . 1.72 111.636 -176.284 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.805 -0.443 . . . . 3.21 109.805 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 52.0 t -53.36 109.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.172 -0.677 . . . . 0.57 109.172 172.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.92 -29.84 68.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.217 -0.901 . . . . 1.91 111.795 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 40.9 mmt180 -91.92 33.35 1.05 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.266 0.555 . . . . 3.55 110.778 175.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.498 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -118.38 -24.38 6.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.675 0.75 . . . . 2.25 109.573 168.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -83.63 111.16 18.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.574 -1.194 . . . . 3.34 109.364 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.401 ' HB3' HG12 ' A' ' 57' ' ' ILE . 53.7 t -50.25 126.29 14.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.668 -0.696 . . . . 0.71 111.528 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.7 -9.33 58.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 1.8 111.038 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 97.1 mtt180 -139.51 65.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.241 -0.652 . . . . 3.96 109.241 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.401 HG12 ' HB3' ' A' ' 54' ' ' CYS . 67.2 mt . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 2.51 110.632 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.889 0.376 . . . . 1.86 111.101 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.4 1.78 85.71 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.84 -0.695 . . . . 1.6 112.402 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -120.1 -36.58 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.995 0.739 . . . . 2.66 112.995 -172.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -77.38 168.93 19.2 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.542 -0.463 . . . . 1.39 111.119 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -43.92 -60.85 1.65 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.311 0.856 . . . . 1.28 113.311 -174.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.6 -30.39 68.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.972 0.36 . . . . 1.1 111.972 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.9 m -77.92 -13.02 60.02 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.986 0.422 . . . . 0.66 111.159 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -85.39 -27.96 25.47 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.969 -0.752 . . . . 2.49 108.969 172.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 19' ' ' ALA . 40.3 t -76.99 132.59 32.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.483 -1.235 . . . . 1.19 109.927 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.1 p -123.68 -4.57 8.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.817 0.341 . . . . 1.86 111.271 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -136.62 -170.05 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.099 -0.5 . . . . 1.88 110.548 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -63.62 110.17 1.92 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.675 -0.693 . . . . 1.08 109.775 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.4 p -61.88 -20.06 63.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.565 . . . . 0.99 111.479 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.83 18.04 73.66 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 116.101 -0.5 . . . . 0.88 113.104 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.81 -16.78 8.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.768 0.655 . . . . 1.55 112.768 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.9 138.08 34.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.261 -0.644 . . . . 0.95 109.261 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 p -51.4 -23.96 4.35 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.46 0.475 . . . . 2.17 111.43 174.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.9 -59.66 2.66 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 115.776 -0.647 . . . . 1.56 111.361 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 20.7 p -70.88 -13.7 62.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.356 -0.384 . . . . 1.18 111.586 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.48 -7.89 54.51 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.752 0.31 . . . . 1.74 111.005 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.346 -0.388 . . . . 1.72 110.518 177.474 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.855 0.359 . . . . 3.21 111.347 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 40.3 t -52.89 111.08 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.467 -0.788 . . . . 0.57 110.082 173.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 41.9 mt-10 -62.75 -16.3 57.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 1.91 111.377 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -93.16 32.6 1.29 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.892 0.377 . . . . 3.55 110.763 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.405 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 18.8 mmm-85 -115.18 -24.94 8.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.475 0.655 . . . . 2.25 110.338 174.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 12.8 ptm180 -83.49 134.79 34.83 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.943 -1.026 . . . . 3.34 110.501 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.5 t -51.78 126.25 17.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.471 -0.786 . . . . 0.71 110.344 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.68 -35.11 65.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.438 -0.346 . . . . 1.8 111.476 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -102.06 -3.73 27.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.309 0.576 . . . . 3.96 110.704 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 57' ' ' ILE . 31.4 mt . . . . . 0 CA--C 1.535 0.37 0 CA-C-N 114.804 -1.089 . . . . 2.51 111.391 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 p . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.984 0.421 . . . . 1.86 111.177 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.1 -4.93 60.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.123 -0.56 . . . . 1.6 112.936 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -105.92 -38.01 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.975 0.361 . . . . 2.66 111.975 -174.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.65 156.15 27.74 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.6 -0.44 . . . . 1.39 110.869 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.551 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -46.62 -55.25 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.935 0.772 . . . . 1.28 112.236 -176.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.29 -37.11 45.66 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.816 0.673 . . . . 1.1 112.816 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.4 m -74.98 -21.81 58.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.758 0.314 . . . . 0.66 111.502 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -87.13 -23.01 25.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.984 0.421 . . . . 2.49 110.295 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 19' ' ' ALA . 60.4 t -74.15 131.91 34.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.628 -0.714 . . . . 1.19 109.525 175.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 p -111.2 -29.47 7.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.042 0.449 . . . . 1.86 111.684 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -120.85 -175.03 2.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.431 0.634 . . . . 1.88 111.471 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -62.49 108.49 1.14 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.177 -0.919 . . . . 1.08 110.25 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.5 p -59.2 -26.44 64.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.659 -0.701 . . . . 0.99 112.467 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.92 18.07 64.06 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.797 -0.716 . . . . 0.88 113.133 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.4 -0.85 6.29 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.412 0.893 . . . . 1.55 113.412 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.644 ' O ' HD11 ' A' ' 34' ' ' LEU . 10.9 m -101.5 134.32 44.78 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.349 -0.612 . . . . 0.95 109.349 178.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 m -50.93 -22.21 2.13 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.986 0.422 . . . . 2.17 110.974 173.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -80.24 -56.63 4.08 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.024 -0.535 . . . . 1.56 111.595 176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.55 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 23.9 p -70.53 -11.25 60.81 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 122.02 -0.425 . . . . 1.18 112.079 -175.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.644 HD11 ' O ' ' A' ' 30' ' ' CYS . 6.2 mp -75.17 -9.42 58.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.704 0.288 . . . . 1.74 111.423 177.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.423 -0.353 . . . . 1.72 110.192 178.322 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.814 0.34 . . . . 3.21 110.68 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.55 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 15.7 t -53.08 124.56 14.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.285 0.564 . . . . 0.57 110.536 174.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.514 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 33.1 mt-10 -64.63 -15.38 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.263 -0.88 . . . . 1.91 111.842 -176.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -90.99 30.57 1.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.427 0.632 . . . . 3.55 109.927 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.498 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -111.42 -10.23 14.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.181 -0.918 . . . . 2.25 108.576 170.481 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -86.83 112.72 22.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.137 -1.392 . . . . 3.34 110.04 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 t -52.7 131.7 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 0.71 110.344 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.66 -38.16 62.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 1.8 111.574 -173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -107.28 -1.78 21.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.045 0.45 . . . . 3.96 111.318 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 57' ' ' ILE . 28.0 mt . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 114.991 -1.004 . . . . 2.51 111.259 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.976 0.417 . . . . 1.86 111.427 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.17 8.02 64.33 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.95 -0.568 . . . . 1.6 112.723 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -113.6 -41.64 3.59 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.889 -0.183 . . . . 2.66 111.215 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -79.87 152.9 29.39 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.033 -0.358 . . . . 1.39 110.033 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.581 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -44.93 -55.51 5.4 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.823 0.702 . . . . 1.28 112.239 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.85 -42.47 36.55 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.889 0.7 . . . . 1.1 112.889 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -72.55 -16.16 61.76 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.837 0.31 . . . . 0.66 111.837 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -89.18 -19.95 24.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.43 0.634 . . . . 2.49 109.996 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 19' ' ' ALA . 39.1 t -77.07 157.72 5.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.764 -1.107 . . . . 1.19 110.242 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.447 HG22 ' HG3' ' A' ' 25' ' ' GLU . 13.4 t -140.75 3.38 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.827 0.346 . . . . 1.86 111.257 175.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.447 ' HG3' HG22 ' A' ' 24' ' ' THR . 21.3 mt-10 -137.59 176.75 8.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.361 -0.381 . . . . 1.88 110.397 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -68.08 117.15 9.54 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.596 -0.89 . . . . 1.08 108.596 167.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.2 p -59.24 -28.41 66.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.274 0.842 . . . . 0.99 113.274 -169.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.537 ' C ' HD12 ' A' ' 34' ' ' LEU . . . 81.71 19.79 65.07 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.457 -0.878 . . . . 0.88 112.922 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.44 -6.95 6.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.027 0.751 . . . . 1.55 113.027 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.555 ' O ' HD11 ' A' ' 34' ' ' LEU . 12.9 m -97.02 130.58 44.32 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.066 -0.716 . . . . 0.95 109.066 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.499 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.1 p -52.57 -22.37 4.89 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.329 0.393 . . . . 2.17 110.895 173.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.8 m -78.31 -55.86 4.91 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.068 -0.514 . . . . 1.56 111.576 174.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.476 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 19.5 p -69.19 -16.11 63.54 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 122.061 -0.4 . . . . 1.18 111.447 -175.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.555 HD11 ' O ' ' A' ' 30' ' ' CYS . 8.5 mp -77.32 -14.75 59.67 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.805 0.298 . . . . 1.74 111.805 176.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 31' ' ' SER . 98.0 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.701 0.286 . . . . 1.72 111.541 -175.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 121.001 0.429 . . . . 3.21 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.58 130.79 41.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.57 109.572 170.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.23 -14.35 60.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 1.91 111.96 -174.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -99.59 34.24 2.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.361 0.601 . . . . 3.55 110.458 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -118.0 -21.62 8.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.711 -0.677 . . . . 2.25 109.419 172.668 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' O ' HD23 ' A' ' 55' ' ' LEU . 57.3 mtp180 -89.18 122.62 32.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.366 -0.834 . . . . 3.34 109.782 177.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 37.4 t -53.93 115.53 2.07 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.09 0.244 . . . . 0.71 110.654 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 53' ' ' ARG . 2.9 mm? -77.74 -11.65 59.9 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.887 0.375 . . . . 1.8 111.141 -178.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -139.37 67.23 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.654 -0.498 . . . . 3.96 109.654 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.468 -0.787 . . . . 2.51 111.13 -178.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 112.517 0.562 . . . . 1.86 112.517 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.16 0.34 90.16 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.724 -0.75 . . . . 1.6 112.977 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -110.71 -37.96 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.066 0.433 . . . . 2.66 111.878 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.7 p -76.53 156.78 32.61 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.961 -0.295 . . . . 1.39 110.969 -173.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -43.48 -57.07 3.28 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 124.061 0.851 . . . . 1.28 112.694 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.56 -31.34 64.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.625 0.602 . . . . 1.1 112.625 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.8 m -73.4 -23.29 60.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.66 111.124 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -89.18 -28.8 19.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.327 -0.397 . . . . 2.49 110.64 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' ' 19' ' ' ALA . 99.4 t -72.71 132.12 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 1.19 109.895 177.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 p -111.77 -27.85 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.004 0.372 . . . . 1.86 112.004 -176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.04 -176.91 4.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.408 -0.36 . . . . 1.88 110.569 -176.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.69 120.66 13.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.532 0.682 . . . . 1.08 110.485 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -25.49 67.26 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.388 -0.824 . . . . 0.99 111.436 177.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.36 4.88 90.01 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.964 -0.562 . . . . 0.88 114.495 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.59 26.0 4.4 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.951 0.875 . . . . 1.55 112.426 -178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.8 m -116.68 158.57 23.57 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.431 -0.581 . . . . 0.95 109.431 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -48.29 -49.58 33.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.156 0.503 . . . . 2.17 110.825 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -33.22 56.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.997 -0.547 . . . . 1.56 111.559 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -64.65 -27.62 69.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 1.18 111.564 178.244 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' ' 30' ' ' CYS . 7.5 mp -78.23 -15.71 58.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.146 0.498 . . . . 1.74 110.453 176.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.859 -0.61 . . . . 1.72 110.085 175.052 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.951 0.405 . . . . 3.21 110.086 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 51' ' ' ARG . 18.4 t -50.41 133.86 24.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.455 -0.793 . . . . 0.57 112.26 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.81 -16.94 61.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.199 -0.909 . . . . 1.91 111.233 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.491 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 26.1 mmm180 -92.12 29.11 1.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.517 . . . . 3.55 110.221 177.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.81 -17.4 13.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.518 -0.764 . . . . 2.25 109.413 173.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -80.91 127.11 32.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.728 -1.123 . . . . 3.34 110.128 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.505 ' HB3' HG12 ' A' ' 57' ' ' ILE . 49.4 t -50.94 117.79 2.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.643 -0.708 . . . . 0.71 111.358 -178.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.87 -10.04 59.36 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.273 0.559 . . . . 1.8 110.546 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -140.16 65.45 1.42 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.629 -0.714 . . . . 3.96 110.042 -175.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.505 HG12 ' HB3' ' A' ' 54' ' ' CYS . 69.5 mt . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 121.167 0.508 . . . . 2.51 110.189 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 120.738 0.304 . . . . 1.86 111.734 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.09 -21.31 42.77 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.038 -0.601 . . . . 1.6 113.246 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -103.63 -26.96 12.59 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.659 0.614 . . . . 2.66 112.659 -171.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 p -78.36 157.65 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.329 -0.548 . . . . 1.39 110.587 -176.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.591 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -43.97 -56.84 3.67 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 124.076 0.86 . . . . 1.28 112.436 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.67 63.86 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.425 0.528 . . . . 1.1 112.425 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.7 m -72.44 -30.38 64.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 0.66 111.318 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -88.52 -8.67 54.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.116 0.484 . . . . 2.49 110.239 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.591 HG21 ' O ' ' A' ' 19' ' ' ALA . 95.9 t -76.04 147.58 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.537 -0.756 . . . . 1.19 109.516 174.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -109.88 -41.99 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.0 0.37 . . . . 1.86 112.0 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -118.5 -176.96 3.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.799 0.333 . . . . 1.88 110.978 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.79 138.02 57.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.14 -0.689 . . . . 1.08 109.14 173.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 p -64.67 -21.35 66.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.048 0.759 . . . . 0.99 113.048 -173.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 71.97 18.75 77.91 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.934 -0.65 . . . . 0.88 113.342 -176.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.17 14.9 3.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.791 1.034 . . . . 1.55 113.791 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.575 ' O ' HD11 ' A' ' 34' ' ' LEU . 27.0 m -103.87 140.75 37.24 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.494 -0.928 . . . . 0.95 108.494 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.2 p -50.87 -27.63 7.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.406 0.622 . . . . 2.17 110.306 172.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -56.75 4.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.445 -0.798 . . . . 1.56 111.794 178.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.499 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 21.8 p -69.63 -9.25 53.42 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.125 -0.359 . . . . 1.18 111.826 -174.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.575 HD11 ' O ' ' A' ' 30' ' ' CYS . 7.8 mp -81.82 -2.08 49.71 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.03 0.381 . . . . 1.74 112.03 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.08 0.467 . . . . 1.72 111.256 -177.149 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.012 0.434 . . . . 3.21 111.566 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.5 t -54.21 129.72 36.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.57 110.601 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.54 -21.44 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.883 -0.598 . . . . 1.91 112.297 -177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -93.98 24.23 4.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.349 0.595 . . . . 3.55 110.676 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -113.84 -11.24 12.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.818 0.818 . . . . 2.25 108.988 172.446 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -87.66 114.01 23.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.504 -1.226 . . . . 3.34 109.859 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.3 t -50.57 128.76 21.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 0.71 111.318 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.93 -4.86 49.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.8 110.847 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -138.21 61.43 1.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.368 -0.378 . . . . 3.96 110.019 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.09 -0.504 . . . . 2.51 110.596 -176.88 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 18.5 p . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 113.045 0.757 . . . . 1.86 113.045 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.2 -4.55 85.38 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.643 -0.789 . . . . 1.6 113.398 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -116.16 -22.61 8.83 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 117.506 0.653 . . . . 2.66 112.737 -175.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -81.92 160.82 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.524 -0.471 . . . . 1.39 110.338 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.584 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.82 -57.26 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.836 0.71 . . . . 1.28 111.959 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.58 -34.01 35.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.423 0.527 . . . . 1.1 112.423 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 m -72.73 -26.09 61.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.016 0.376 . . . . 0.66 112.016 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -91.56 -13.68 31.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.145 0.498 . . . . 2.49 110.717 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 19' ' ' ALA . 95.9 t -74.56 139.64 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.741 -0.663 . . . . 1.19 110.756 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.2 p -101.99 -42.65 6.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.39 -0.368 . . . . 1.86 111.3 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -121.04 142.89 49.39 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.642 -0.503 . . . . 1.88 109.642 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.514 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -67.19 157.44 33.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.238 0.542 . . . . 1.08 110.218 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -28.32 69.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.206 -0.907 . . . . 0.99 113.049 -170.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.96 8.05 46.79 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 114.347 0.499 . . . . 0.88 114.347 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.23 -2.95 3.92 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.364 1.246 . . . . 1.55 114.364 -174.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.475 ' O ' HD11 ' A' ' 34' ' ' LEU . 15.0 p -102.29 143.97 31.38 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 118.944 0.793 . . . . 0.95 110.081 -176.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -48.97 -22.31 0.84 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.184 0.928 . . . . 2.17 113.14 -170.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.4 m -75.57 -57.14 4.06 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.206 -0.197 . . . . 1.56 111.191 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.4 p -71.04 -13.21 61.91 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.976 0.417 . . . . 1.18 111.319 -178.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD11 ' O ' ' A' ' 30' ' ' CYS . 8.1 mp -78.95 -0.03 29.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 1.74 111.317 177.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 109.632 -0.507 . . . . 1.72 109.632 176.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.834 0.349 . . . . 3.21 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 53.2 t -48.08 141.94 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.423 -0.808 . . . . 0.57 110.704 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.7 -22.04 61.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.847 -0.615 . . . . 1.91 111.443 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -97.02 21.59 9.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.094 0.473 . . . . 3.55 110.879 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.633 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -125.35 -35.38 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.474 . . . . 2.25 110.647 176.632 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -81.45 118.11 22.43 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.893 -0.594 . . . . 3.34 110.461 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.7 t -54.29 125.21 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.748 -0.66 . . . . 0.71 111.046 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -78.45 -3.04 41.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.491 . . . . 1.8 111.168 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 97.4 mtt180 -142.12 68.87 1.32 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.554 -0.536 . . . . 3.96 109.554 -176.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--N 1.321 -0.637 0 CA-C-O 121.287 0.565 . . . . 2.51 110.51 179.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.845 0.355 . . . . 1.86 110.958 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 101.26 -31.39 8.72 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.794 -0.717 . . . . 1.6 113.966 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -106.47 -12.3 15.67 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.323 0.86 . . . . 2.66 113.323 -171.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -81.28 150.25 28.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.669 -0.493 . . . . 1.39 109.669 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.545 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -47.13 -63.81 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 1.28 110.812 178.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -55.96 -32.44 63.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.588 -0.733 . . . . 1.1 112.494 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 33.8 m -78.92 -9.73 59.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.124 0.416 . . . . 0.66 112.124 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 48.0 mt-30 -94.38 -31.59 13.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.39 0.614 . . . . 2.49 109.474 172.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.545 HG21 ' O ' ' A' ' 19' ' ' ALA . 42.3 t -76.76 141.0 16.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.035 -0.984 . . . . 1.19 109.988 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.3 t -136.09 5.59 3.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.469 0.652 . . . . 1.86 110.518 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -120.79 156.74 31.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.448 -0.796 . . . . 1.88 109.662 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.13 106.83 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.004 -0.739 . . . . 1.08 109.004 170.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.3 p -57.08 -24.79 56.45 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.256 0.836 . . . . 0.99 113.256 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.506 ' C ' HD12 ' A' ' 34' ' ' LEU . . . 77.37 19.27 76.85 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.582 -0.818 . . . . 0.88 113.005 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.93 2.23 5.96 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.188 0.81 . . . . 1.55 113.188 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.605 ' O ' HD11 ' A' ' 34' ' ' LEU . 14.0 m -103.43 135.08 45.71 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.72 -0.845 . . . . 0.95 108.72 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 m -51.59 -21.39 2.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.989 0.424 . . . . 2.17 110.649 172.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.4 m -82.14 -55.93 4.25 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.802 -0.635 . . . . 1.56 112.295 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.575 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 29.8 p -68.22 -13.65 62.4 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.796 -0.565 . . . . 1.18 111.966 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.605 HD11 ' O ' ' A' ' 30' ' ' CYS . 8.6 mp -78.67 -11.84 59.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 1.74 110.957 175.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 1.72 111.426 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.182 0.515 . . . . 3.21 110.772 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 52.9 t -52.2 125.8 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.327 -0.852 . . . . 0.57 111.047 178.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.466 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 30.9 mt-10 -66.52 -18.35 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.143 -0.935 . . . . 1.91 111.346 -177.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 26.2 mtm180 -103.72 33.74 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.343 0.592 . . . . 3.55 110.369 172.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -115.44 -23.55 8.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.304 -0.862 . . . . 2.25 109.577 168.432 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -84.34 120.04 25.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.513 -1.221 . . . . 3.34 110.238 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.2 t -54.59 130.4 39.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.172 0.51 . . . . 0.71 111.516 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.27 -25.69 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.527 -0.761 . . . . 1.8 111.232 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.0 ptt85 -142.42 72.46 1.38 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.802 0.81 . . . . 3.96 110.19 -175.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.2 mt . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 114.847 -1.07 . . . . 2.51 111.276 -178.493 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 16' ' ' GLY . 22.6 p . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.598 0.237 . . . . 1.86 110.887 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.472 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . 161.3 -32.31 0.36 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.664 -0.779 . . . . 1.6 113.835 177.768 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -104.18 -13.17 16.31 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.266 1.21 . . . . 2.66 114.266 -169.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 m -80.9 158.98 25.11 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.181 -0.608 . . . . 1.39 109.627 178.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.542 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -48.43 -61.23 2.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 1.28 110.643 175.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.14 -41.2 26.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.567 -0.742 . . . . 1.1 112.312 174.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.9 m -77.89 -9.49 59.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.95 -0.568 . . . . 0.66 112.027 -176.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -87.74 -26.46 22.9 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.151 -0.685 . . . . 2.49 109.151 170.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 19' ' ' ALA . 53.5 t -77.13 139.21 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.659 -1.155 . . . . 1.19 110.72 -178.206 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -121.55 -20.81 6.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.415 -0.357 . . . . 1.86 111.765 -178.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -133.42 -170.08 2.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.061 0.458 . . . . 1.88 110.764 -177.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -65.56 112.3 3.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.64 -0.709 . . . . 1.08 109.622 171.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.42 ' SG ' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -63.79 -30.59 71.66 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.831 -0.622 . . . . 0.99 110.837 -179.602 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.01 6.07 82.56 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.723 -0.671 . . . . 0.88 113.951 174.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.01 31.97 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.541 0.671 . . . . 1.55 111.942 -178.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.2 m -124.35 155.43 38.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 119.411 -0.328 . . . . 0.95 110.259 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -46.9 -50.82 18.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.969 0.414 . . . . 2.17 111.21 178.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 49' ' ' CYS . 7.7 m -77.05 -31.03 55.89 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.209 -0.451 . . . . 1.56 111.267 -179.493 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.502 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.2 m -68.45 -28.15 66.8 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.848 0.314 . . . . 1.18 111.848 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.412 HD11 ' O ' ' A' ' 30' ' ' CYS . 5.7 mp -76.38 -13.29 60.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.8 0.333 . . . . 1.74 110.78 179.326 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.4 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.14 -0.482 . . . . 1.72 110.07 175.287 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.207 0.527 . . . . 3.21 111.074 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.416 ' HA ' ' HB ' ' A' ' 32' ' ' THR . 1.5 t -56.0 134.61 52.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.256 -0.884 . . . . 0.57 111.112 176.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.11 -22.23 66.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.286 -0.87 . . . . 1.91 111.171 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -96.27 37.86 1.23 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.058 -0.519 . . . . 3.55 109.895 178.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 -122.85 -24.72 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.382 0.611 . . . . 2.25 110.812 174.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -79.54 132.77 36.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.304 -0.862 . . . . 3.34 110.345 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.481 ' HB3' HG12 ' A' ' 57' ' ' ILE . 42.8 t -55.03 107.68 0.33 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.71 110.596 177.116 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.65 -15.55 59.78 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.171 0.51 . . . . 1.8 110.743 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -139.95 73.34 1.42 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.719 -0.845 . . . . 3.96 108.719 -175.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' ' 54' ' ' CYS . 20.8 mt . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.765 -0.652 . . . . 2.51 110.635 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.042 0.449 . . . . 1.86 110.754 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.57 1.89 67.31 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.799 -0.637 . . . . 1.6 113.169 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -113.19 -37.25 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.146 0.424 . . . . 2.66 112.146 -175.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 p -77.48 158.86 29.75 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.688 -0.405 . . . . 1.39 110.861 -174.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.681 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -44.67 -58.27 3.15 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 124.151 0.907 . . . . 1.28 111.968 -177.171 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . . . -51.2 -41.01 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.991 0.737 . . . . 1.1 112.991 -177.37 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.1 m -73.12 -20.3 60.96 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.012 0.434 . . . . 0.66 111.127 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -89.21 -31.54 17.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 2.49 110.571 178.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.681 HG21 ' O ' ' A' ' 19' ' ' ALA . 19.5 t -76.64 144.25 11.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 1.19 110.46 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -108.34 -25.18 11.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.771 0.32 . . . . 1.86 111.772 -179.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 30.7 mt-10 -108.45 157.82 18.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.3 0.571 . . . . 1.88 111.391 -175.421 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.5 p-10 -69.96 142.63 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.662 -0.699 . . . . 1.08 110.172 175.348 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 p -64.58 -22.17 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.958 0.725 . . . . 0.99 112.958 -173.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.99 21.03 80.17 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 121.047 -0.597 . . . . 0.88 113.455 -177.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.07 15.25 4.22 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.377 0.88 . . . . 1.55 113.377 179.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.56 ' O ' HD11 ' A' ' 34' ' ' LEU . 14.3 m -109.76 141.51 42.28 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.858 -0.794 . . . . 0.95 108.858 174.129 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -50.08 -25.71 3.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.019 0.438 . . . . 2.17 110.682 173.046 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -57.64 3.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.81 -0.632 . . . . 1.56 111.868 177.319 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 26' ' ' ASP . 31.8 p -69.6 -14.69 62.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.897 -0.321 . . . . 1.18 111.723 -175.499 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.56 HD11 ' O ' ' A' ' 30' ' ' CYS . 7.5 mp -74.66 -12.06 60.34 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.687 -0.233 . . . . 1.74 111.519 175.317 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.599 -0.273 . . . . 1.72 110.468 -179.43 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.8 mttm . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.073 0.463 . . . . 3.21 110.62 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 42.2 t -53.11 110.96 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.067 -0.969 . . . . 0.57 110.425 176.244 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -64.1 -12.54 40.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.067 0.46 . . . . 1.91 111.671 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -86.99 -1.73 58.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.041 -0.527 . . . . 3.55 111.005 178.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.551 ' NH1' HG12 ' A' ' 23' ' ' VAL . 11.4 mmp_? -103.22 0.8 32.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.594 0.711 . . . . 2.25 109.403 176.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' O ' HD23 ' A' ' 55' ' ' LEU . 69.4 mtp180 -80.16 126.81 31.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.873 -1.058 . . . . 3.34 108.255 170.422 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.8 t -44.68 116.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.184 0.928 . . . . 0.71 112.029 -174.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 3.7 mm? -75.22 -23.39 57.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.602 -0.726 . . . . 1.8 110.635 -179.019 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -129.03 67.23 1.42 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.778 -0.646 . . . . 3.96 109.467 -177.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.562 -0.744 . . . . 2.51 109.797 174.925 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.485 ' C ' ' H ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.511 -0.553 0 N-CA-C 110.329 -0.248 . . . . 1.86 110.329 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.442 ' HA2' ' HB3' ' A' ' 21' ' ' CYS . . . -59.79 39.27 0.03 OUTLIER Glycine 0 CA--C 1.526 0.739 0 O-C-N 124.901 1.375 . . . . 1.6 115.352 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 15' ' ' CYS . 35.1 mt-10 -114.43 -17.99 11.62 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.708 -0.479 . . . . 2.66 109.708 170.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.7 m -81.48 152.52 27.3 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.389 -0.597 . . . . 1.39 109.389 176.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.74 -64.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.33 0.394 . . . . 1.28 111.757 -179.329 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.35 -34.9 72.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 1.1 111.907 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' HA2' ' A' ' 16' ' ' GLY . 61.7 m -73.81 -18.47 60.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.359 -0.382 . . . . 0.66 111.537 -179.382 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 78.6 mt-30 -83.28 -29.1 28.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.489 0.661 . . . . 2.49 109.486 174.467 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 19' ' ' ALA . 59.9 t -73.22 143.1 14.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 114.854 -1.066 . . . . 1.19 109.151 178.072 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.443 HG21 ' HG3' ' A' ' 25' ' ' GLU . 7.3 t -129.84 -9.56 4.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.995 0.426 . . . . 1.86 111.44 -177.072 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.443 ' HG3' HG21 ' A' ' 24' ' ' THR . 47.2 mt-10 -124.73 178.39 5.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.779 0.323 . . . . 1.88 110.433 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.66 111.81 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.071 -0.513 . . . . 1.08 110.005 175.184 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -60.99 -22.73 64.78 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.102 -0.499 . . . . 0.99 112.035 -177.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.92 12.26 84.59 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.953 -0.642 . . . . 0.88 112.976 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.48 8.9 10.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.701 0.63 . . . . 1.55 112.701 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.4 m -107.57 140.59 40.33 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.312 -0.995 . . . . 0.95 108.312 173.249 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -51.14 -30.42 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.139 0.495 . . . . 2.17 110.256 175.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -76.72 -54.74 6.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.581 -0.736 . . . . 1.56 111.479 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.8 p -72.32 -4.76 31.71 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.953 -0.299 . . . . 1.18 111.739 -175.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 mt -77.35 -1.92 32.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.823 0.344 . . . . 1.74 111.336 177.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.41 . . . . 1.72 110.088 177.309 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.483 0.659 . . . . 3.21 111.743 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 33.8 t -54.58 123.89 14.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.982 -1.008 . . . . 0.57 109.894 171.452 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.98 -15.34 63.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.028 0.442 . . . . 1.91 110.866 -178.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.492 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -96.29 29.59 2.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.235 0.54 . . . . 3.55 109.866 176.525 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HE ' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -119.01 -45.51 2.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.502 -0.772 . . . . 2.25 110.078 173.537 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -77.14 140.5 40.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.47 -0.786 . . . . 3.34 109.924 176.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' ' 57' ' ' ILE . 11.9 t -51.84 150.13 4.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.31 -0.859 . . . . 0.71 111.958 -176.43 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.62 -63.53 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.514 -0.767 . . . . 1.8 110.605 -177.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -101.81 -3.72 27.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.005 0.431 . . . . 3.96 110.89 -178.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.496 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 69.2 mt . . . . . 0 CA--C 1.53 0.2 0 CA-C-N 115.095 -0.957 . . . . 2.51 110.549 -175.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 9.0 p . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 112.002 0.371 . . . . 1.86 112.002 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.02 -9.63 45.18 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 121.004 -0.617 . . . . 1.6 113.582 -178.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -105.16 -31.21 9.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.125 0.462 . . . . 2.66 111.939 -173.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 p -76.07 147.38 38.7 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.355 -0.538 . . . . 1.39 109.645 -177.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.59 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.53 -47.32 14.32 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.611 0.569 . . . . 1.28 111.235 -177.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.61 -35.66 61.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.651 -0.704 . . . . 1.1 112.682 -177.12 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.1 m -69.95 -29.78 66.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 0.66 111.297 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -96.55 -8.95 30.6 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.062 -0.517 . . . . 2.49 111.568 -177.174 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 19' ' ' ALA . 68.9 t -74.96 125.48 34.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.999 -0.371 . . . . 1.19 109.999 176.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -111.92 -14.19 13.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.934 0.397 . . . . 1.86 111.298 -178.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.54 153.78 24.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.198 -0.455 . . . . 1.88 110.649 -176.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -66.61 113.06 4.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.333 -0.988 . . . . 1.08 108.333 168.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 p -59.23 -23.27 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.735 -0.666 . . . . 0.99 112.654 -171.201 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.37 16.3 80.69 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.943 -0.646 . . . . 0.88 113.295 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.39 31.62 3.44 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.661 0.615 . . . . 1.55 112.661 178.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.548 ' O ' HD11 ' A' ' 34' ' ' LEU . 27.0 m -122.22 141.97 50.92 Favored 'General case' 0 CA--C 1.515 -0.365 0 N-CA-C 108.669 -0.863 . . . . 0.95 108.669 170.088 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 24.2 t -51.51 -24.3 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.02 0.438 . . . . 2.17 110.389 173.114 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -56.91 3.75 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.724 -0.671 . . . . 1.56 112.244 178.452 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 21.6 p -72.37 -6.03 40.52 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.935 0.346 . . . . 1.18 111.935 -175.704 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD11 ' O ' ' A' ' 30' ' ' CYS . 6.6 mp -79.44 -27.91 41.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.28 0.562 . . . . 1.74 110.028 171.091 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 31' ' ' SER . 71.3 mt . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.715 -0.675 . . . . 1.72 110.404 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.564 -0.162 . . . . 3.21 110.564 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 54.0 t -49.8 126.17 13.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.143 -0.48 . . . . 0.57 110.239 176.33 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 40.2 mt-10 -69.23 1.49 3.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 1.91 111.57 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.9 mmt-85 -104.4 15.41 28.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.073 0.463 . . . . 3.55 110.037 173.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.513 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -116.34 -17.36 10.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.446 0.641 . . . . 2.25 110.095 174.655 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 16.2 ptm180 -85.71 119.27 25.86 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.938 -1.028 . . . . 3.34 109.779 176.108 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 45.3 t -53.24 117.44 3.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.063 0.459 . . . . 0.71 110.993 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.33 -2.17 48.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 1.8 111.163 -178.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 29.5 mtp180 -144.46 69.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 3.96 109.508 178.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.0 mt . . . . . 0 C--N 1.321 -0.636 0 CA-C-O 121.215 0.531 . . . . 2.51 110.423 -179.467 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.224 -0.251 0 N-CA-C 112.067 0.395 . . . . 1.86 112.067 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.49 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 78.49 -5.26 56.96 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.993 -0.623 . . . . 1.6 113.692 -177.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -109.75 -31.05 7.59 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 117.398 0.599 . . . . 2.66 112.314 -175.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.2 m -75.66 157.66 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.337 -0.616 . . . . 1.39 109.337 -179.831 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -44.87 -65.82 0.48 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.293 0.371 . . . . 1.28 111.846 -179.227 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.24 68.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.156 0.503 . . . . 1.1 111.761 178.094 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 49.2 m -77.09 -17.78 58.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.162 -0.472 . . . . 0.66 111.895 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 77.4 mt-30 -87.58 -23.9 24.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.303 0.573 . . . . 2.49 109.606 174.613 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 19' ' ' ALA . 89.2 t -71.2 139.93 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.082 -0.963 . . . . 1.19 109.5 177.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 p -108.75 -34.97 6.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.138 0.422 . . . . 1.86 112.138 -174.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -116.79 172.76 7.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.675 -0.239 . . . . 1.88 110.403 -177.352 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.512 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 1.7 p30 -68.32 134.31 50.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.307 0.575 . . . . 1.08 109.876 177.659 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 p -63.63 -24.6 67.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.479 -0.782 . . . . 0.99 112.771 -174.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.1 20.22 77.73 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 120.9 -0.667 . . . . 0.88 113.318 -177.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.33 7.69 4.59 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.427 0.899 . . . . 1.55 113.427 179.337 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.554 ' O ' HD11 ' A' ' 34' ' ' LEU . 12.5 m -103.77 132.56 49.91 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.048 -1.093 . . . . 0.95 108.048 174.658 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -51.68 -22.95 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.301 0.572 . . . . 2.17 110.619 174.174 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -78.0 -52.46 8.76 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.351 -0.84 . . . . 1.56 111.407 175.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 26' ' ' ASP . 20.6 p -73.52 -12.54 60.81 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.256 0.465 . . . . 1.18 112.256 -176.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.554 HD11 ' O ' ' A' ' 30' ' ' CYS . 8.3 mp -75.86 -7.23 54.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 1.74 110.93 175.795 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.369 -0.378 . . . . 1.72 110.191 177.671 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 mttp . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.045 0.45 . . . . 3.21 111.281 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.489 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 49.9 t -53.49 122.38 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.805 . . . . 0.57 110.864 176.069 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 40.6 mt-10 -65.27 -19.88 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.86 -0.609 . . . . 1.91 111.092 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.33 22.39 5.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.149 0.499 . . . . 3.55 110.247 176.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HE ' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -123.44 -15.56 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 2.25 110.661 174.433 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.0 ptp180 -83.78 136.69 34.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.562 -0.745 . . . . 3.34 109.726 178.649 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.51 120.23 5.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 0.71 111.284 178.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.1 mt -78.43 -22.29 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.585 -0.734 . . . . 1.8 110.782 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -147.39 77.79 1.45 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.337 -0.616 . . . . 3.96 109.337 -173.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.818 -0.628 . . . . 2.51 110.884 179.116 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.0 -0.44 . . . . 18.18 112.0 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.09 -25.73 73.26 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.043 2.496 . . . . 17.81 112.596 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.53 HD22 ' H ' ' A' ' 3' ' ' LEU . 2.6 pt? -102.4 13.06 35.58 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.145 0.497 . . . . 17.72 110.422 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.4 -170.95 13.55 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.749 -0.738 . . . . 15.33 112.465 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 t -124.84 16.62 8.65 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.142 0.496 . . . . 14.04 109.851 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -97.21 144.45 27.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 12.98 110.429 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -109.12 134.78 51.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.34 -0.391 . . . . 11.34 110.305 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -93.44 -12.4 29.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.103 0.478 . . . . 12.19 110.744 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.9 tpt -160.62 111.02 1.79 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.918 -0.583 . . . . 10.56 109.904 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.636 ' HD1' ' CD2' ' A' ' 10' ' ' PHE . 99.2 m-85 -81.57 97.0 7.63 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.912 -0.403 . . . . 7.17 109.912 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HB2' ' HZ3' ' A' ' 11' ' ' LYS . 9.7 mtmp? -83.81 76.73 9.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.054 -0.521 . . . . 9.87 110.676 -176.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 56.54 55.03 6.81 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.479 0.657 . . . . 9.6 110.305 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.95 155.0 15.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.197 -0.91 . . . . 4.79 109.026 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.62 172.6 55.02 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.103 -0.57 . . . . 2.15 113.247 -175.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -57.55 -24.83 58.31 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.724 0.41 . . . . 1.86 111.785 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 4.16 90.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.048 -0.596 . . . . 1.6 112.191 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -113.27 -53.67 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.74 0.274 . . . . 2.66 111.74 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 p -79.3 154.41 29.13 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.911 -0.315 . . . . 1.39 111.609 -170.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.498 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.42 -53.32 8.88 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.811 0.694 . . . . 1.28 112.567 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.39 58.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.899 0.704 . . . . 1.1 112.899 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 91.3 m -77.92 -11.23 59.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.751 0.31 . . . . 0.66 111.494 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -87.11 -31.95 20.17 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.956 -0.757 . . . . 2.49 108.956 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 19' ' ' ALA . 47.8 t -73.52 139.45 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.806 -1.088 . . . . 1.19 109.727 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.2 p -115.95 -31.2 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.86 -0.336 . . . . 1.86 111.819 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -114.89 -177.55 3.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.073 0.463 . . . . 1.88 110.716 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.487 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.3 p-10 -66.76 120.6 13.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.207 0.527 . . . . 1.08 109.977 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 p -61.16 -23.2 65.38 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.764 -0.653 . . . . 0.99 111.779 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.11 12.49 82.37 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.087 -0.577 . . . . 0.88 113.61 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.47 25.05 4.11 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.462 0.912 . . . . 1.55 113.462 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.583 ' O ' HD11 ' A' ' 34' ' ' LEU . 39.2 m -109.04 144.19 37.37 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.916 -0.772 . . . . 0.95 108.916 172.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -48.47 -34.32 10.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.182 0.515 . . . . 2.17 110.183 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -79.71 -51.14 9.59 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.436 -0.802 . . . . 1.56 112.23 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.614 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 14.7 p -74.39 -0.69 18.08 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.87 -0.519 . . . . 1.18 112.377 -174.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD11 ' O ' ' A' ' 30' ' ' CYS . 6.8 mp -79.65 -21.73 44.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.384 -0.598 . . . . 1.74 109.384 167.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.8 mt -91.23 25.94 2.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.513 -0.767 . . . . 1.72 111.299 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' OE1' ' HA ' ' A' ' 48' ' ' LYS . 13.7 mm100 -79.53 100.0 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.078 0.466 . . . . 4.32 109.825 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -80.19 112.47 30.77 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.707 -0.679 . . . . 4.7 109.869 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.56 -24.67 48.38 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.722 2.282 . . . . 4.78 112.058 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -86.96 62.08 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.307 -0.627 . . . . 7.8 109.307 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -80.64 130.82 35.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.641 -0.709 . . . . 6.75 109.948 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 m -122.84 25.69 3.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.914 0.388 . . . . 7.66 111.132 -176.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.97 -170.85 2.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.29 -0.414 . . . . 7.81 110.414 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -139.15 69.8 1.37 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.402 0.62 . . . . 7.25 109.643 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.31 -124.55 0.98 Allowed Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.446 -0.797 . . . . 5.03 111.437 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 6.9 mp 68.05 110.74 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.31 0.576 . . . . 4.83 111.913 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.599 ' HD2' ' CD1' ' A' ' 46' ' ' PHE . 78.2 m-85 -84.3 9.59 12.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 5.43 110.837 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 20.2 p -87.13 82.63 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.872 -0.604 . . . . 3.35 109.764 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.522 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 59.2 mttp -140.97 169.5 17.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.833 -0.621 . . . . 3.21 111.047 -177.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.3 t -53.11 119.27 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.246 -0.888 . . . . 0.57 111.271 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.96 3.44 10.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.467 -0.788 . . . . 1.91 111.021 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.3 mmp_? -98.79 22.25 10.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.49 0.662 . . . . 3.55 109.37 171.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -107.94 -14.06 14.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.047 0.927 . . . . 2.25 108.647 169.257 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -89.06 122.71 32.66 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.997 -1.456 . . . . 3.34 109.719 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.1 t -50.77 129.81 23.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.676 . . . . 0.71 111.807 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.89 -19.21 60.24 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.13 -0.487 . . . . 1.8 110.806 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 58' ' ' VAL . 48.9 mtm180 -138.14 67.5 1.41 Allowed 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.144 -1.058 . . . . 3.96 108.144 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.9 mt -50.15 101.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.38 0 O-C-N 124.082 0.864 . . . . 2.51 111.521 -175.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 56' ' ' ARG . 15.5 m -138.12 8.5 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.581 -0.736 . . . . 3.96 110.915 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.69 45.51 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.4 0.619 . . . . 6.43 110.456 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -80.17 66.31 5.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 8.68 110.882 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.476 -0.773 . . . . 7.87 111.387 178.239 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.235 -0.346 . . . . 18.18 112.235 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.81 -23.08 19.45 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.912 2.408 . . . . 17.81 112.602 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 tp 64.36 -83.29 0.03 OUTLIER 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.704 -0.68 . . . . 17.72 111.792 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.91 37.0 2.03 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.077 -0.582 . . . . 15.33 111.854 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m -66.48 -35.51 80.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 14.04 111.051 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -79.3 63.32 3.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.28 0.562 . . . . 12.98 111.137 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -88.54 54.01 2.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.422 -0.808 . . . . 11.34 109.739 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.7 ttm-85 -78.14 128.47 33.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.097 -0.956 . . . . 12.19 110.288 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.5 mtt 66.75 108.01 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.731 0.645 . . . . 10.56 110.454 -175.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.609 ' HE1' ' CE2' ' A' ' 10' ' ' PHE . 92.8 m-85 -80.33 47.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.998 -0.546 . . . . 7.17 111.952 -174.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -86.12 -11.57 52.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.474 0.654 . . . . 9.87 109.386 173.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -82.71 -1.34 51.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.305 -0.861 . . . . 9.6 110.311 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.2 m -141.41 -174.33 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.435 -0.802 . . . . 4.79 109.032 176.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.88 -142.39 5.78 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.225 -0.988 . . . . 2.15 112.098 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 23.7 p -58.5 -28.01 65.0 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.234 0.457 . . . . 1.86 112.234 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.1 2.88 90.68 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.851 -0.69 . . . . 1.6 112.591 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -114.6 -40.14 3.64 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.055 0.391 . . . . 2.66 112.055 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -73.97 160.09 31.83 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.762 -0.199 . . . . 1.39 111.274 -172.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.642 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -45.25 -54.56 6.87 Favored 'General case' 0 C--N 1.333 -0.131 0 O-C-N 123.878 0.736 . . . . 1.28 111.582 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.07 -34.22 42.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 1.1 112.401 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.7 m -73.49 -28.1 61.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.716 0.293 . . . . 0.66 111.446 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -87.87 -22.57 24.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.249 -0.432 . . . . 2.49 110.316 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 19' ' ' ALA . 61.4 t -72.35 134.65 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.905 -0.589 . . . . 1.19 110.141 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 p -107.85 -35.44 6.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.836 0.31 . . . . 1.86 111.836 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -125.42 -178.9 4.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.752 0.31 . . . . 1.88 110.715 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -61.78 118.69 7.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.301 0.572 . . . . 1.08 110.257 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -62.34 -24.78 67.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.446 -0.797 . . . . 0.99 112.464 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 80.91 12.49 82.61 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.923 -0.656 . . . . 0.88 113.61 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.93 12.25 7.22 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.641 0.978 . . . . 1.55 113.641 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.61 ' O ' HD11 ' A' ' 34' ' ' LEU . 13.8 m -108.75 133.9 52.19 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.342 -0.984 . . . . 0.95 108.342 173.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 m -51.3 -23.57 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 2.17 110.699 174.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.8 m -79.36 -55.2 5.24 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.702 -0.681 . . . . 1.56 111.749 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 20.7 p -70.55 -8.47 51.65 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.969 0.414 . . . . 1.18 111.511 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.61 HD11 ' O ' ' A' ' 30' ' ' CYS . 6.1 mp -78.58 -18.11 55.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 1.74 110.728 172.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.45 -64.01 1.24 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.464 -0.335 . . . . 1.72 110.342 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 53.14 65.71 1.44 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.848 -0.615 . . . . 4.32 110.404 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.28 122.58 82.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.614 -0.721 . . . . 4.7 110.514 -177.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.458 ' O ' ' HB3' ' A' ' 39' ' ' HIS . 55.3 Cg_endo -72.54 109.47 2.77 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.383 2.055 . . . . 4.78 111.523 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.458 ' HB3' ' O ' ' A' ' 38' ' ' PRO . 50.6 t-80 73.94 133.38 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.777 0.673 . . . . 7.8 110.807 -177.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -66.04 103.29 0.93 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 6.75 111.181 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.5 t -86.55 -28.33 5.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 7.66 109.646 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.03 87.71 2.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.514 -0.767 . . . . 7.81 109.963 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -59.22 114.61 2.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.688 -0.687 . . . . 7.25 110.597 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.8 -32.24 2.94 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.84 -0.904 . . . . 5.03 110.84 -174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -83.16 111.46 18.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.593 -0.892 . . . . 4.83 108.593 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -83.91 93.9 8.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.436 -0.347 . . . . 5.43 110.279 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.2 t -84.15 74.98 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.44 0.638 . . . . 3.35 110.125 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -142.15 138.29 31.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.183 -0.917 . . . . 3.21 110.033 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.492 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.3 t -52.94 130.97 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.587 -0.733 . . . . 0.57 111.109 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.76 -15.47 53.53 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.815 -0.629 . . . . 1.91 111.51 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.512 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 0.8 OUTLIER -97.0 34.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.439 0.638 . . . . 3.55 110.379 177.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -120.55 -30.37 4.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.639 -0.709 . . . . 2.25 109.667 172.242 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -82.87 115.5 21.78 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.899 -1.046 . . . . 3.34 109.793 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.62 128.59 26.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.528 -0.76 . . . . 0.71 111.421 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.428 HD12 ' NH2' ' A' ' 51' ' ' ARG . 3.0 mm? -79.73 -5.19 54.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.164 -0.471 . . . . 1.8 110.963 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 27.1 mtp180 -142.92 67.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.028 -0.533 . . . . 3.96 110.214 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -67.75 98.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.157 0.504 . . . . 2.51 110.13 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.4 t -94.59 74.42 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.126 -0.694 . . . . 3.96 109.126 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -123.88 100.18 6.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.646 -0.706 . . . . 6.43 110.24 -176.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -93.38 151.82 19.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.516 -0.765 . . . . 8.68 110.733 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.247 0.952 0 N-CA-C 108.884 -0.784 . . . . 7.87 108.884 177.853 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.813 -0.515 . . . . 18.18 111.813 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.16 89.49 0.31 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.625 2.216 . . . . 17.81 112.351 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.9 tp -120.03 -27.78 5.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.121 0.486 . . . . 17.72 110.312 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.626 ' O ' ' HD2' ' A' ' 8' ' ' ARG . . . 96.17 -9.03 67.55 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.729 -0.748 . . . . 15.33 112.78 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 p -100.89 -48.9 4.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.678 0.275 . . . . 14.04 111.252 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.77 141.23 58.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 12.98 111.384 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 63.22 16.15 9.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.422 -0.808 . . . . 11.34 111.808 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.626 ' HD2' ' O ' ' A' ' 4' ' ' GLY . 98.9 mtt180 -127.6 107.38 9.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.288 -0.414 . . . . 12.19 109.906 176.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -161.09 -24.53 0.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.593 -0.276 . . . . 10.56 110.638 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 91.4 m-85 68.93 -61.06 0.43 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.585 0.754 . . . . 7.17 111.934 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 70.28 -48.16 0.64 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.753 0.821 . . . . 9.87 111.956 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -80.75 -36.04 32.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.032 0.444 . . . . 9.6 110.874 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.1 t -93.42 -38.92 10.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.468 0.651 . . . . 4.79 110.475 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 10' ' ' PHE . . . 117.22 -136.86 12.95 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.999 -0.84 . . . . 2.15 110.999 -176.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -63.31 -29.18 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.927 0.363 . . . . 1.86 111.37 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.45 -6.96 74.74 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.231 -0.509 . . . . 1.6 113.411 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -113.75 -30.25 6.83 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.053 0.76 . . . . 2.66 113.053 -173.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -75.46 166.04 24.19 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.814 -0.355 . . . . 1.39 111.245 -173.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.616 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -47.38 -60.45 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.864 0.728 . . . . 1.28 111.624 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -50.84 -33.45 23.81 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.78 0.659 . . . . 1.1 112.78 -178.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.6 m -69.49 -31.68 70.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.66 111.268 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -89.62 -17.26 28.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.289 -0.414 . . . . 2.49 110.938 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.616 HG21 ' O ' ' A' ' 19' ' ' ALA . 60.4 t -74.75 128.59 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.514 -0.312 . . . . 1.19 110.229 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 p -121.31 -12.61 8.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.224 0.535 . . . . 1.86 110.757 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -120.78 176.95 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 1.88 110.48 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.1 p-10 -67.57 110.25 3.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.055 -0.52 . . . . 1.08 109.644 171.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 p -59.12 -28.57 66.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.646 -0.706 . . . . 0.99 111.977 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.61 13.06 65.8 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.817 -0.706 . . . . 0.88 113.205 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.67 18.5 6.8 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.195 0.813 . . . . 1.55 113.195 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.568 ' O ' HD11 ' A' ' 34' ' ' LEU . 4.6 m -123.27 133.31 54.19 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.729 -0.841 . . . . 0.95 108.729 173.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 t -52.57 -19.58 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.049 0.452 . . . . 2.17 110.982 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.86 -58.14 3.45 Favored 'General case' 0 N--CA 1.433 -1.306 0 C-N-CA 123.124 0.57 . . . . 1.56 111.232 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.4 p -69.59 -15.32 63.19 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.66 0.267 . . . . 1.18 111.397 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.568 HD11 ' O ' ' A' ' 30' ' ' CYS . 5.1 mp -75.04 -11.02 60.01 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.477 -0.329 . . . . 1.74 111.209 176.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -75.99 -23.22 55.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.347 . . . . 1.72 110.143 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 54.1 74.85 0.31 Allowed 'General case' 0 N--CA 1.462 0.155 0 O-C-N 123.568 0.543 . . . . 4.32 110.236 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 72.4 mt -79.22 112.28 26.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.239 -0.437 . . . . 4.7 110.465 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.18 60.11 7.67 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.905 2.403 . . . . 4.78 112.368 -176.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -129.55 90.78 3.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.103 -0.499 . . . . 7.8 110.914 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.34 -25.68 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.51 -0.922 . . . . 6.75 108.51 171.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -111.45 140.12 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 115.027 -0.988 . . . . 7.66 108.931 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 55.98 62.71 2.27 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.304 0.573 . . . . 7.81 110.237 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -108.56 77.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.611 -0.722 . . . . 7.25 110.588 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -99.2 -171.37 30.97 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.742 -0.742 . . . . 5.03 111.986 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.1 mp 69.19 130.93 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.342 0.657 . . . . 4.83 111.86 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -86.72 34.16 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.311 0.576 . . . . 5.43 110.618 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.8 m -89.78 22.65 3.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.462 0.649 . . . . 3.35 110.013 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -93.65 -172.54 2.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.189 -0.914 . . . . 3.21 110.044 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 46.1 t -45.82 119.19 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.51 0.506 . . . . 0.57 111.381 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 41.9 mt-10 -66.28 -20.24 66.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.942 -0.572 . . . . 1.91 111.668 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 27.8 mmm180 -90.94 35.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.294 0.568 . . . . 3.55 110.282 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 mmm-85 -110.15 -30.77 7.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.594 -0.73 . . . . 2.25 109.805 172.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 53' ' ' ARG . 17.5 ptt-85 -81.23 127.11 32.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.164 -0.925 . . . . 3.34 109.859 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 48.5 t -53.43 127.31 24.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.912 -0.586 . . . . 0.71 111.236 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.34 -20.12 59.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 1.8 110.569 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -110.38 3.01 19.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.251 -0.431 . . . . 3.96 110.285 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.602 HG21 ' H ' ' A' ' 58' ' ' VAL . 5.8 mt 39.78 -139.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 114.868 -1.06 . . . . 2.51 111.639 -176.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.602 ' H ' HG21 ' A' ' 57' ' ' ILE . 19.0 t -92.59 -4.59 10.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.369 0.605 . . . . 3.96 110.249 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -57.46 -56.9 15.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.594 -0.73 . . . . 6.43 109.501 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 51.49 54.45 11.03 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.501 -0.772 . . . . 8.68 111.133 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.645 -0.707 . . . . 7.87 109.099 178.191 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.866 -0.494 . . . . 18.18 111.866 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.56 -46.04 29.91 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.683 2.255 . . . . 17.81 112.184 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.7 tp -67.21 94.12 0.34 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.089 -0.505 . . . . 17.72 109.84 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.48 -44.84 1.02 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.966 -0.853 . . . . 15.33 110.966 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -73.21 -37.27 66.5 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.842 -0.799 . . . . 14.04 108.842 172.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -145.63 -168.97 3.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.667 -1.151 . . . . 12.98 108.352 174.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -70.36 0.26 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.615 -0.513 . . . . 11.34 109.615 176.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 tpp180 45.33 66.75 0.84 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.358 -0.837 . . . . 12.19 111.705 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.5 tpp -160.6 -48.86 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.357 -0.838 . . . . 10.56 109.874 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.657 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 70.7 m-85 -80.2 128.99 34.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.532 -0.758 . . . . 7.17 110.244 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -154.69 -23.3 0.12 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.229 -0.441 . . . . 9.87 110.787 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 6.0 tpm_? -88.38 -31.58 18.79 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.716 -0.476 . . . . 9.6 109.716 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -102.51 32.34 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.778 -0.646 . . . . 4.79 110.958 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.87 -137.79 27.42 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.88 -0.676 . . . . 2.15 112.183 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -29.15 68.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.432 . . . . 1.86 111.495 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 72.49 -0.62 41.01 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.932 -0.577 . . . . 1.6 113.732 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -108.68 -25.39 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.144 0.472 . . . . 2.66 112.067 -176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.5 m -77.91 157.6 29.73 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.653 -0.499 . . . . 1.39 109.653 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.48 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -46.29 -62.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.676 0.274 . . . . 1.28 111.455 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.43 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 1.1 111.916 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.423 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 53.2 m -75.86 -15.65 60.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.747 0.308 . . . . 0.66 111.666 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 48.2 mt-30 -90.29 -17.26 27.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.492 0.663 . . . . 2.49 109.808 172.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 19' ' ' ALA . 60.1 t -77.35 136.28 24.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.308 -0.86 . . . . 1.19 109.013 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.419 HG21 ' HG3' ' A' ' 25' ' ' GLU . 9.8 t -132.63 -15.51 2.73 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.716 -0.394 . . . . 1.86 111.847 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' HG3' HG21 ' A' ' 24' ' ' THR . 49.7 mt-10 -132.22 178.33 6.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.772 0.32 . . . . 1.88 110.643 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -66.42 109.33 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.838 0.828 . . . . 1.08 110.124 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -26.18 68.67 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.972 -1.013 . . . . 0.99 112.212 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.68 9.93 84.95 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.868 -0.682 . . . . 0.88 113.836 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.58 34.9 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.476 0.638 . . . . 1.55 111.828 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' O ' HD11 ' A' ' 34' ' ' LEU . 2.7 m -132.81 152.74 51.75 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 119.376 -0.345 . . . . 0.95 110.283 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 t -48.71 -49.36 38.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 2.17 111.045 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -76.12 -34.89 59.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.981 0.42 . . . . 1.56 111.291 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.5 m -64.76 -31.76 73.13 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.895 0.379 . . . . 1.18 110.857 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.448 HD11 ' O ' ' A' ' 30' ' ' CYS . 8.1 mp -78.14 0.54 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 1.74 111.929 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.0 mt -77.73 -25.81 49.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.2 -0.296 . . . . 1.72 110.2 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 54.14 51.31 14.74 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.085 0.469 . . . . 4.32 110.929 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.2 mt -81.95 120.43 77.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.59 -0.732 . . . . 4.7 110.676 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.02 -15.71 36.22 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.56 2.174 . . . . 4.78 111.893 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -132.25 158.07 42.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.801 -0.815 . . . . 7.8 108.801 174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.89 -58.11 3.93 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.57 -0.452 . . . . 6.75 110.379 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 t 48.07 51.06 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-O 121.585 0.707 . . . . 7.66 110.51 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.66 35.24 3.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.764 . . . . 7.81 111.189 -177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.8 t -73.13 -49.56 27.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.765 -0.457 . . . . 7.25 109.765 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.99 -35.11 3.27 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.998 -0.62 . . . . 5.03 111.761 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.75 135.11 35.5 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.153 -0.314 . . . . 4.83 110.153 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.67 ' HE2' ' CE1' ' A' ' 46' ' ' PHE . 19.4 p90 -85.3 51.46 2.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.936 0.874 . . . . 5.43 109.866 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.7 p -88.67 68.45 8.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.165 -0.925 . . . . 3.35 111.472 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -133.7 134.08 42.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.475 -0.784 . . . . 3.21 109.194 174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t -52.74 135.31 35.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.57 111.556 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.432 ' C ' ' HE ' ' A' ' 51' ' ' ARG . 20.0 mm-40 -63.88 -17.67 63.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.085 -0.961 . . . . 1.91 111.625 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HE ' ' C ' ' A' ' 50' ' ' GLU . 2.3 mmp_? -100.09 16.44 24.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.1 0.476 . . . . 3.55 110.639 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 52' ' ' ARG . 1.7 mmp_? -116.83 25.23 10.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.588 0.709 . . . . 2.25 109.521 174.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -148.76 131.54 16.02 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.948 -1.024 . . . . 3.34 109.295 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.4 t -53.69 145.84 14.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.804 -0.634 . . . . 0.71 111.78 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -80.86 -4.83 56.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.376 -0.829 . . . . 1.8 110.07 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -125.3 -47.87 1.73 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.999 -0.546 . . . . 3.96 110.532 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 mt -85.34 119.13 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 2.51 110.872 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.412 HG11 ' O ' ' A' ' 58' ' ' VAL . 7.7 p -80.63 76.9 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 122.463 1.125 . . . . 3.96 109.593 175.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -82.93 -25.8 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.895 -1.048 . . . . 6.43 110.428 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -123.22 144.63 49.25 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.9 -0.591 . . . . 8.68 109.539 -176.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.59 -0.719 . . . . 7.87 109.636 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.658 -0.577 . . . . 18.18 111.658 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.08 142.47 42.22 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.401 2.067 . . . . 17.81 112.206 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.7 109.17 15.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.674 -0.862 . . . . 17.72 108.674 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.63 64.18 0.23 Allowed Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 111.291 -0.724 . . . . 15.33 111.291 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -133.57 52.97 2.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.103 0.478 . . . . 14.04 110.128 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' OE2' ' HD3' ' A' ' 8' ' ' ARG . 9.0 pt-20 -91.14 115.37 27.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.316 0.579 . . . . 12.98 110.532 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -94.93 54.49 1.72 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.58 0.705 . . . . 11.34 109.185 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' HD3' ' OE2' ' A' ' 6' ' ' GLU . 12.8 ptt180 -58.24 142.8 46.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.777 -1.101 . . . . 12.19 111.994 -174.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.7 mmm 59.36 82.9 0.14 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.593 -0.73 . . . . 10.56 110.349 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' ARG . 89.2 m-85 -78.3 -15.98 58.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.78 -0.646 . . . . 7.17 111.884 -173.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 34.6 mmtp 69.39 -10.35 0.56 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.244 0.618 . . . . 9.87 111.419 -175.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' PHE . 64.1 mtp180 -149.15 178.32 8.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.608 -0.886 . . . . 9.6 108.608 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 m 49.08 -154.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.941 0.896 . . . . 4.79 112.799 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.47 158.59 39.74 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.932 -0.651 . . . . 2.15 113.839 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -59.76 -30.46 68.88 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.12 0.785 . . . . 1.86 113.12 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.54 -5.08 85.59 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.869 -0.681 . . . . 1.6 113.249 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -110.49 -34.59 6.27 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.548 0.573 . . . . 2.66 112.548 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -76.59 166.76 22.94 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 111.812 0.301 . . . . 1.39 111.812 -172.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.53 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -48.28 -55.53 10.35 Favored 'General case' 0 C--O 1.225 -0.228 0 O-C-N 123.718 0.636 . . . . 1.28 111.692 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -54.12 -30.34 48.4 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.465 0.542 . . . . 1.1 112.465 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.2 m -77.26 -26.5 52.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.329 -0.396 . . . . 0.66 111.517 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -86.78 -29.48 22.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.147 -0.478 . . . . 2.49 110.169 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 19' ' ' ALA . 49.6 t -72.3 134.53 29.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.114 -0.698 . . . . 1.19 109.114 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.2 p -108.2 -32.06 7.65 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.936 0.347 . . . . 1.86 111.936 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -127.19 -168.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.208 0.528 . . . . 1.88 111.101 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.84 117.96 6.56 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.402 -0.817 . . . . 1.08 110.289 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 p -61.9 -26.07 67.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.627 -0.715 . . . . 0.99 112.007 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.419 ' C ' HD12 ' A' ' 34' ' ' LEU . . . 85.18 12.75 72.88 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.872 -0.68 . . . . 0.88 113.118 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.84 6.24 6.66 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.577 0.955 . . . . 1.55 113.577 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.628 ' O ' HD11 ' A' ' 34' ' ' LEU . 21.0 m -103.86 138.03 41.02 Favored 'General case' 0 CA--C 1.515 -0.393 0 O-C-N 121.499 -0.751 . . . . 0.95 109.408 175.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 t -51.75 -26.81 10.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.388 0.613 . . . . 2.17 110.0 172.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -80.19 -55.06 5.19 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.36 -0.836 . . . . 1.56 112.183 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.576 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 25.8 p -70.06 -9.51 55.62 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.924 -0.485 . . . . 1.18 112.006 -175.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.628 HD11 ' O ' ' A' ' 30' ' ' CYS . 5.7 mp -79.21 -7.98 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.932 0.345 . . . . 1.74 111.932 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.36 -25.56 51.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.821 0.343 . . . . 1.72 111.183 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 57.56 25.72 11.92 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.284 -0.871 . . . . 4.32 112.543 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.532 HD13 ' SG ' ' A' ' 47' ' ' CYS . 72.1 mt -81.93 137.22 46.88 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 116.04 -0.527 . . . . 4.7 109.589 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.77 106.77 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.438 2.759 . . . . 4.78 112.58 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -118.15 49.45 1.26 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.775 -0.648 . . . . 7.8 110.032 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -65.95 -42.16 90.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.092 -0.958 . . . . 6.75 112.033 -173.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -96.41 1.08 10.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.681 0.277 . . . . 7.66 111.302 -178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.13 18.21 11.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.759 -0.655 . . . . 7.81 112.14 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.4 m -131.23 156.89 44.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.87 -0.418 . . . . 7.25 109.87 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.9 -73.1 1.51 Allowed Glycine 0 C--N 1.329 0.175 0 C-N-CA 120.861 -0.685 . . . . 5.03 111.874 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -84.85 90.53 7.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.319 -0.622 . . . . 4.83 109.319 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -82.74 38.16 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.319 0.581 . . . . 5.43 110.904 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.532 ' SG ' HD13 ' A' ' 37' ' ' LEU . 52.3 m -89.58 45.03 1.24 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.718 0.77 . . . . 3.35 109.189 177.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -88.54 135.25 33.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.849 -1.069 . . . . 3.21 110.337 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.576 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.4 t -54.48 122.78 11.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.524 -0.762 . . . . 0.57 110.071 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 21.2 mt-10 -64.92 -20.09 66.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.371 -0.831 . . . . 1.91 111.628 -174.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.509 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 23.4 mmt180 -102.8 35.69 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.36 0.6 . . . . 3.55 110.681 173.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.4 -29.18 7.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.553 -0.749 . . . . 2.25 109.732 168.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -81.05 122.27 27.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.217 -0.901 . . . . 3.34 109.46 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.0 t -53.14 132.32 38.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.085 -0.961 . . . . 0.71 112.092 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 55' ' ' LEU . 2.9 mm? -78.05 -4.04 45.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.88 -0.6 . . . . 1.8 110.418 176.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -141.13 58.43 1.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.47 -0.787 . . . . 3.96 109.862 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.01 113.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.707 -0.479 . . . . 2.51 109.707 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 p -89.03 32.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.821 0.82 . . . . 3.96 111.025 -169.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 10.1 pt-20 -72.86 173.52 9.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.627 -0.715 . . . . 6.43 109.392 174.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -155.58 133.69 11.48 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.605 -0.438 . . . . 8.68 111.001 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.647 -0.692 . . . . 7.87 109.583 175.068 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 112.089 -0.404 . . . . 18.18 112.089 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -81.8 60.2 7.47 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.669 2.246 . . . . 17.81 112.513 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -141.98 -173.84 3.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.512 -0.313 . . . . 17.72 110.158 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.99 -6.92 21.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 15.33 112.463 176.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -154.36 61.3 0.69 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.448 0.642 . . . . 14.04 109.534 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.29 147.03 49.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.507 -0.769 . . . . 12.98 110.89 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 54.47 71.46 0.52 Allowed 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.469 0.481 . . . . 11.34 111.237 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 67.02 -176.53 0.2 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.663 -0.698 . . . . 12.19 111.477 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.3 tpt 56.09 59.15 3.87 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.8 0.81 . . . . 10.56 110.23 -176.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.66 ' HD1' ' CD2' ' A' ' 10' ' ' PHE . 32.7 m-85 -79.91 92.4 5.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.238 -0.892 . . . . 7.17 109.737 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm 67.6 -75.44 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.822 0.849 . . . . 9.87 110.204 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -144.74 44.29 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.607 -0.886 . . . . 9.6 108.607 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 t 60.83 37.46 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 122.254 1.026 . . . . 4.79 109.113 -173.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.29 122.36 0.69 Allowed Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.935 -1.03 . . . . 2.15 111.786 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 59' ' ' GLU . 3.3 m -66.61 -17.41 64.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.749 0.309 . . . . 1.86 111.522 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 79.89 -5.56 61.7 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.151 -0.547 . . . . 1.6 112.46 -176.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -103.6 -46.38 4.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.741 0.305 . . . . 2.66 111.105 -177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -73.64 152.43 40.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.44 -0.345 . . . . 1.39 110.291 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.63 -63.88 0.86 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.644 0.59 . . . . 1.28 111.789 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -25.93 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.103 0.478 . . . . 1.1 112.053 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 73.8 m -81.44 -9.87 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.275 -0.421 . . . . 0.66 111.909 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 73.2 mt-30 -87.99 -28.84 21.17 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.604 -0.888 . . . . 2.49 108.604 170.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 19' ' ' ALA . 26.1 t -77.1 143.91 12.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.165 -1.38 . . . . 1.19 110.153 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.7 m -127.66 -23.88 3.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.021 0.439 . . . . 1.86 110.887 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -120.01 -177.94 3.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.924 0.393 . . . . 1.88 110.516 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.1 p30 -64.59 117.2 7.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.248 0.547 . . . . 1.08 110.182 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 p -59.96 -26.24 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.574 -0.739 . . . . 0.99 112.338 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.498 ' O ' HD22 ' A' ' 34' ' ' LEU . . . 82.88 15.45 72.75 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.873 -0.68 . . . . 0.88 112.993 -178.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.09 -3.34 8.55 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.823 0.675 . . . . 1.55 112.823 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.422 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 10.8 m -96.69 134.82 39.46 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.379 -0.971 . . . . 0.95 108.379 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -50.82 -27.3 7.04 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.544 0.527 . . . . 2.17 110.46 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -78.39 -53.75 6.93 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.382 -0.827 . . . . 1.56 111.749 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.536 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.5 p -70.42 -13.88 62.32 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.912 -0.493 . . . . 1.18 111.463 -176.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 28' ' ' GLY . 88.5 mt -76.75 -11.06 59.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.897 0.379 . . . . 1.74 111.259 175.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.7 mt -79.29 -28.08 42.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.592 -0.276 . . . . 1.72 110.56 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 54.45 55.23 8.29 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.3 0.375 . . . . 4.32 110.992 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -82.41 132.7 51.87 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.296 -0.411 . . . . 4.7 110.9 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.19 49.46 3.01 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.827 2.352 . . . . 4.78 112.043 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -127.66 26.75 5.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.194 -0.457 . . . . 7.8 110.332 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -80.96 72.68 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.066 -0.515 . . . . 6.75 110.379 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 p -101.81 -55.92 5.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.299 -0.41 . . . . 7.66 111.351 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 178.01 -71.18 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.816 0.341 . . . . 7.81 110.957 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.2 t -129.11 -170.77 2.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.975 -0.557 . . . . 7.25 110.14 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.62 -104.95 2.13 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.972 -0.633 . . . . 5.03 111.54 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -88.26 102.09 14.49 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.468 -0.938 . . . . 4.83 108.468 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.62 ' HD1' ' CD2' ' A' ' 46' ' ' PHE . 82.5 m-85 -82.77 -79.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.788 -0.642 . . . . 5.43 111.082 -177.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.7 m 54.29 45.09 27.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.462 0.649 . . . . 3.35 110.289 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -89.89 157.86 17.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.147 -0.933 . . . . 3.21 110.334 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 34.8 t -55.79 123.75 15.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.918 -0.583 . . . . 0.57 110.055 171.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 5.5 mm-40 -64.15 -15.18 59.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.007 -0.542 . . . . 1.91 111.187 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -94.86 37.33 1.15 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.26 0.553 . . . . 3.55 110.53 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -122.7 -9.44 8.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.537 -0.756 . . . . 2.25 110.682 173.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 16.9 ptm180 -87.11 120.31 28.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.6 -0.727 . . . . 3.34 110.531 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.452 ' SG ' HG12 ' A' ' 57' ' ' ILE . 42.9 t -53.08 125.39 17.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.823 -0.626 . . . . 0.71 111.723 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.37 -25.25 39.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 1.8 111.113 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -144.64 79.58 1.61 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.93 -0.767 . . . . 3.96 108.93 -172.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.452 HG12 ' SG ' ' A' ' 54' ' ' CYS . 15.4 mt -70.5 72.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.603 0.716 . . . . 2.51 111.033 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 p -101.39 2.66 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.071 -0.968 . . . . 3.96 109.737 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.519 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 12.1 tp10 -76.29 69.28 2.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.223 -0.899 . . . . 6.43 110.354 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -166.92 26.77 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.01 -0.995 . . . . 8.68 108.719 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.138 -0.937 . . . . 7.87 109.553 -176.254 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.01 -0.436 . . . . 18.18 112.01 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.48 -33.97 66.85 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.985 2.457 . . . . 17.81 112.611 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.34 21.61 7.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.043 0.449 . . . . 17.72 110.526 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.94 -151.25 19.47 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.868 -0.682 . . . . 15.33 112.643 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 p -151.13 55.33 0.88 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.485 0.659 . . . . 14.04 109.677 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -77.48 87.3 3.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.312 -0.858 . . . . 12.98 111.533 -174.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -94.63 61.93 2.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.073 -0.714 . . . . 11.34 109.073 175.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -81.95 113.02 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.752 -0.658 . . . . 12.19 110.927 -174.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.6 mtp 59.06 53.47 5.51 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.745 0.653 . . . . 10.56 110.459 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.602 ' HE1' ' CE2' ' A' ' 10' ' ' PHE . 85.5 m-85 64.16 -87.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.474 -0.785 . . . . 7.17 110.414 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 tttp 66.51 -68.02 0.14 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.742 0.645 . . . . 9.87 112.742 173.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -85.99 -22.18 27.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.867 0.365 . . . . 9.6 110.773 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 12.8 p -140.47 157.8 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.719 -0.673 . . . . 4.79 109.52 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.93 -141.38 3.55 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.413 -0.898 . . . . 2.15 112.563 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 21.3 p -60.6 -22.19 63.47 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.718 0.636 . . . . 1.86 112.718 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.81 3.2 72.93 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.836 -0.697 . . . . 1.6 113.129 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.5 -35.03 4.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.325 0.491 . . . . 2.66 112.325 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 p -77.94 157.68 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.555 -0.458 . . . . 1.39 110.871 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -44.87 -53.32 7.68 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.751 0.657 . . . . 1.28 112.088 -177.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -53.35 -32.42 49.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.595 0.591 . . . . 1.1 112.595 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.0 m -75.18 -23.65 57.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.765 0.317 . . . . 0.66 111.557 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -85.85 -26.28 25.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.411 0.624 . . . . 2.49 109.564 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 19' ' ' ALA . 38.9 t -78.26 149.46 5.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.001 -0.999 . . . . 1.19 109.457 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -130.25 -30.12 1.97 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.742 -0.383 . . . . 1.86 111.53 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -117.89 -168.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.006 -0.368 . . . . 1.88 110.006 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.41 109.03 0.9 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.197 -0.668 . . . . 1.08 109.197 172.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.9 p -58.21 -28.45 64.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.561 -0.745 . . . . 0.99 112.422 -175.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' C ' HD12 ' A' ' 34' ' ' LEU . . . 83.35 22.18 57.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.88 112.905 -177.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.2 -6.25 4.86 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.377 0.88 . . . . 1.55 113.377 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.583 ' O ' HD11 ' A' ' 34' ' ' LEU . 8.3 m -98.86 134.55 41.57 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.853 -0.795 . . . . 0.95 108.853 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 p -49.36 -29.27 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.469 0.481 . . . . 2.17 111.174 176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.416 ' CG2' ' HA ' ' A' ' 47' ' ' CYS . 13.7 m -78.94 -50.62 10.87 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.967 -0.56 . . . . 1.56 111.999 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.5 p -70.44 -14.14 62.42 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.658 -0.651 . . . . 1.18 111.028 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD11 ' O ' ' A' ' 30' ' ' CYS . 8.3 mp -78.07 -11.2 59.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.228 -0.442 . . . . 1.74 111.387 174.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 81.9 mt -76.71 -48.17 19.68 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.4 -0.222 . . . . 1.72 110.4 -178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 57.06 46.11 19.77 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.005 0.431 . . . . 4.32 110.974 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' HG ' ' HB3' ' A' ' 35' ' ' LEU . 71.9 mt -83.42 121.15 76.55 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.022 -0.535 . . . . 4.7 110.599 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.6 112.37 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.591 2.194 . . . . 4.78 111.047 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -151.48 176.67 11.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.999 0.428 . . . . 7.8 110.927 -176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -129.97 138.28 50.76 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.614 -0.884 . . . . 6.75 108.614 172.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -74.48 178.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.432 -0.349 . . . . 7.66 111.482 -174.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 73.4 -53.05 0.7 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.759 0.824 . . . . 7.81 111.587 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.8 p -67.72 -38.94 84.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 7.25 110.703 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.13 157.78 11.51 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.91 -0.662 . . . . 5.03 111.746 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mp 65.58 108.8 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.351 0.596 . . . . 4.83 111.809 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -81.18 -61.3 1.99 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.678 -0.86 . . . . 5.43 108.678 173.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.416 ' HA ' ' CG2' ' A' ' 32' ' ' THR . 60.2 m 53.05 56.77 7.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.402 -0.817 . . . . 3.35 111.938 173.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -103.81 140.19 37.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.325 -0.398 . . . . 3.21 111.256 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 30.6 t -55.33 114.32 1.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.899 -0.778 . . . . 0.57 108.899 167.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.05 -24.07 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 1.91 111.354 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 21.8 mmt180 -90.22 28.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.321 0.581 . . . . 3.55 110.472 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -116.95 -10.64 10.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.833 0.825 . . . . 2.25 109.371 168.295 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -92.1 109.94 21.31 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.426 -1.261 . . . . 3.34 109.53 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.6 t -50.59 120.24 4.52 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.367 0.417 . . . . 0.71 111.291 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.93 -3.21 43.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 1.8 110.858 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 95.6 mtt180 -138.67 64.07 1.5 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.766 -0.457 . . . . 3.96 109.766 -176.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.1 95.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.907 -0.588 . . . . 2.51 110.283 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.47 67.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.641 0.734 . . . . 3.96 110.237 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -87.93 -51.27 5.92 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.778 -0.823 . . . . 6.43 108.778 176.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -139.64 14.64 2.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.932 -0.576 . . . . 8.68 109.658 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.252 1.22 0 CA-C-N 114.777 -1.102 . . . . 7.87 110.608 -177.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 111.944 -0.463 . . . . 18.18 111.944 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.33 -24.57 26.94 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.484 2.122 . . . . 17.81 112.264 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -78.33 106.67 10.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.013 -0.736 . . . . 17.72 109.013 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.24 -37.84 3.03 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.981 -0.848 . . . . 15.33 110.981 -174.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 p -87.95 -25.86 22.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.562 0.696 . . . . 14.04 109.626 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 60.4 30.9 20.17 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 114.239 -1.346 . . . . 12.98 111.081 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -143.99 120.37 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.37 -0.832 . . . . 11.34 110.433 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -113.04 128.07 56.39 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.969 -0.752 . . . . 12.19 108.969 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 61.9 mtt -74.62 -27.93 60.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.02 0.438 . . . . 10.56 110.193 -174.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.651 ' HD2' ' CD1' ' A' ' 10' ' ' PHE . 79.9 m-85 -86.79 114.15 23.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.78 -0.646 . . . . 7.17 109.83 172.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -148.17 0.46 0.61 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.332 -0.395 . . . . 9.87 110.943 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.3 mtm-85 -90.06 -17.84 27.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.381 -0.97 . . . . 9.6 108.381 169.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -137.81 -172.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.918 -1.037 . . . . 4.79 109.0 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.76 -111.29 0.21 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.499 -0.858 . . . . 2.15 112.993 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.5 p -64.77 -26.57 68.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 1.86 111.359 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.85 -6.7 54.24 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.892 -0.671 . . . . 1.6 113.159 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -108.17 -34.23 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.175 0.435 . . . . 2.66 112.175 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 p -77.66 157.83 30.0 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.528 -0.469 . . . . 1.39 110.532 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.568 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -44.56 -57.94 3.31 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.123 0.889 . . . . 1.28 112.554 -176.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.11 -32.35 54.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.966 0.728 . . . . 1.1 112.966 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 m -72.69 -23.15 60.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.66 111.237 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -86.67 -25.9 24.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.2 0.524 . . . . 2.49 110.018 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.568 HG21 ' O ' ' A' ' 19' ' ' ALA . 21.8 t -75.23 122.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.49 -0.777 . . . . 1.19 109.542 176.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -98.79 -26.42 14.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.861 0.362 . . . . 1.86 111.629 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -126.05 -172.08 2.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.066 0.46 . . . . 1.88 110.409 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -63.84 116.38 5.73 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.91 -0.774 . . . . 1.08 108.91 170.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 p -58.89 -26.47 64.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.028 0.751 . . . . 0.99 113.028 -171.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.418 ' C ' HD12 ' A' ' 34' ' ' LEU . . . 80.39 19.25 69.39 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.804 -0.712 . . . . 0.88 112.832 -178.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.63 3.14 5.0 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.206 0.817 . . . . 1.55 113.206 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.569 ' O ' HD11 ' A' ' 34' ' ' LEU . 20.4 m -100.28 134.32 43.38 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.558 -0.904 . . . . 0.95 108.558 176.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 t -52.94 -22.58 5.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.143 0.497 . . . . 2.17 109.815 172.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.3 m -79.48 -55.91 4.7 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.489 -0.778 . . . . 1.56 111.983 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.542 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 28.3 p -70.02 -13.03 62.04 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.901 -0.5 . . . . 1.18 111.848 -175.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.569 HD11 ' O ' ' A' ' 30' ' ' CYS . 9.1 mp -80.23 -3.79 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.626 -0.261 . . . . 1.74 111.399 175.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 96.9 mt -74.98 -53.36 9.08 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.194 -0.299 . . . . 1.72 110.194 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 55.43 41.62 30.8 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.057 0.456 . . . . 4.32 111.097 176.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HG ' ' HB3' ' A' ' 35' ' ' LEU . 85.7 mt -84.02 129.23 59.58 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.002 -0.544 . . . . 4.7 111.258 -177.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.55 140.55 16.97 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.483 2.122 . . . . 4.78 111.408 173.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -149.03 139.7 22.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.065 0.459 . . . . 7.8 111.64 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -116.41 145.42 43.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.833 -0.621 . . . . 6.75 109.464 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.4 t 54.14 54.0 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 121.602 0.715 . . . . 7.66 109.974 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -168.8 60.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.307 -0.86 . . . . 7.81 110.12 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -87.13 124.2 33.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.113 -0.494 . . . . 7.25 110.006 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.61 30.38 3.55 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.905 -0.664 . . . . 5.03 112.261 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 23.9 mt -81.71 153.91 26.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.724 0.297 . . . . 4.83 110.437 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -84.66 35.89 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.939 0.4 . . . . 5.43 111.208 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.7 m -99.29 25.76 6.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.518 0.675 . . . . 3.35 109.939 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -91.32 138.14 31.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.239 -0.891 . . . . 3.21 111.03 -176.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 44.3 t -52.52 121.24 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.57 109.965 172.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.95 0.04 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.977 -0.556 . . . . 1.91 111.749 -176.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -102.75 34.1 2.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.919 0.39 . . . . 3.55 110.117 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.508 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -120.57 -19.97 7.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.557 0.694 . . . . 2.25 110.565 175.309 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -81.03 117.7 21.86 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.886 -1.052 . . . . 3.34 110.167 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.5 t -52.22 121.13 6.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.68 -0.691 . . . . 0.71 110.95 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -78.71 -2.98 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.209 0.528 . . . . 1.8 110.539 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -139.08 64.15 1.48 Allowed 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.517 -0.92 . . . . 3.96 108.517 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.1 mt -63.01 87.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.492 0.663 . . . . 2.51 112.247 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -120.77 16.61 6.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.363 -0.835 . . . . 3.96 109.038 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -80.87 -21.02 41.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.831 -1.077 . . . . 6.43 111.083 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -109.34 171.12 7.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.062 -0.517 . . . . 8.68 110.336 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.9 m . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.41 -0.805 . . . . 7.87 110.268 179.863 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.903 -0.479 . . . . 18.18 111.903 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.45 117.42 5.14 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.717 2.278 . . . . 17.81 112.332 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.88 173.98 9.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.613 -0.514 . . . . 17.72 109.613 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.92 -53.85 4.89 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.435 -0.888 . . . . 15.33 111.538 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 p -96.24 44.51 1.07 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.499 0.666 . . . . 14.04 109.671 173.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -103.05 7.6 38.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.337 -0.847 . . . . 12.98 111.393 -173.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.69 176.42 5.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.304 -0.407 . . . . 11.34 110.056 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' H ' ' HD2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -127.06 136.64 52.46 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.118 -0.697 . . . . 12.19 109.118 176.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -78.42 46.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.136 0.421 . . . . 10.56 112.136 -174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.663 ' HD2' ' CD1' ' A' ' 10' ' ' PHE . 41.9 m-85 57.92 20.76 6.98 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.703 0.631 . . . . 7.17 112.703 175.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -87.56 -1.93 58.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.014 0.435 . . . . 9.87 110.902 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -97.18 -40.9 8.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 9.6 110.167 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -89.49 -15.61 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.074 -0.512 . . . . 4.79 110.755 -177.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.5 168.47 24.14 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.726 -0.749 . . . . 2.15 112.426 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -61.81 -28.26 69.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.193 0.442 . . . . 1.86 112.193 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.38 -10.68 63.26 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.746 -0.74 . . . . 1.6 112.949 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -105.67 -32.91 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.608 0.595 . . . . 2.66 112.608 -173.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' SG ' HD21 ' A' ' 55' ' ' LEU . 12.2 p -80.08 165.51 22.44 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.61 -0.436 . . . . 1.39 110.998 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -43.96 -67.51 0.27 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.948 0.78 . . . . 1.28 112.773 -176.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.38 -29.14 33.08 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.653 0.612 . . . . 1.1 112.653 -176.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 m -73.22 -32.46 64.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.686 0.254 . . . . 0.66 111.686 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -86.84 0.88 54.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.171 0.51 . . . . 2.49 111.161 -176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 19' ' ' ALA . 31.7 t -80.76 160.73 3.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.606 -0.725 . . . . 1.19 109.69 176.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.3 m -124.74 -45.39 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.816 0.341 . . . . 1.86 111.374 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -106.55 170.86 7.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.322 -0.399 . . . . 1.88 110.716 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.57 134.79 50.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.333 -0.618 . . . . 1.08 109.333 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 p -64.81 -24.4 67.54 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.568 0.581 . . . . 0.99 112.568 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.08 18.51 79.37 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 121.141 -0.552 . . . . 0.88 113.604 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.0 19.61 3.78 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.754 1.02 . . . . 1.55 113.754 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.565 ' O ' HD11 ' A' ' 34' ' ' LEU . 22.5 m -111.05 150.86 28.74 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.661 -0.65 . . . . 0.95 109.421 174.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -52.09 -32.29 34.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.461 0.648 . . . . 2.17 110.155 171.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.27 -56.24 4.82 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.289 -0.868 . . . . 1.56 112.342 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.8 p -69.3 -12.55 61.76 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.676 -0.409 . . . . 1.18 111.809 -176.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD11 ' O ' ' A' ' 30' ' ' CYS . 7.3 mp -79.35 -4.56 51.5 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.9 0.333 . . . . 1.74 111.9 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.1 mt -76.51 -33.27 58.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.236 -0.283 . . . . 1.72 110.236 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 54.81 77.32 0.21 Allowed 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.598 0.561 . . . . 4.32 111.822 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.73 129.59 67.58 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.912 -0.586 . . . . 4.7 110.27 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.99 33.51 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.023 2.482 . . . . 4.78 112.552 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -137.59 113.75 10.0 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.473 -0.566 . . . . 7.8 109.473 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -102.73 22.86 12.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.799 -0.637 . . . . 6.75 111.568 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.1 t -77.19 -41.84 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.962 -0.384 . . . . 7.66 109.962 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 53.81 64.07 1.97 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.942 -0.572 . . . . 7.81 111.925 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 p -106.36 -23.4 12.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.434 0.635 . . . . 7.25 109.921 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -148.22 -156.26 7.0 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.208 -0.905 . . . . 5.03 110.848 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 62.28 89.74 0.08 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.252 0.548 . . . . 4.83 111.157 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -84.02 22.22 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.105 0.478 . . . . 5.43 111.198 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.6 p -94.24 35.73 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.043 -0.526 . . . . 3.35 110.877 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -93.63 -178.65 4.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 3.21 110.922 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 42.2 t -47.07 124.86 6.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.812 -0.631 . . . . 0.57 110.814 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.6 -17.8 64.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.91 111.267 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -87.62 27.23 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.472 0.654 . . . . 3.55 110.176 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.467 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -115.44 -13.78 11.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.419 -0.81 . . . . 2.25 109.209 172.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -90.82 126.04 35.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.339 -0.846 . . . . 3.34 109.848 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 45.8 t -50.84 138.3 19.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.135 -0.484 . . . . 0.71 110.056 174.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.416 HD21 ' SG ' ' A' ' 18' ' ' CYS . 3.6 mm? -72.24 -30.26 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 1.8 111.164 -173.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -104.04 -3.93 23.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.951 0.405 . . . . 3.96 111.138 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.487 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 28.4 mt 42.5 51.99 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.147 -0.933 . . . . 2.51 111.357 -173.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.5 p -116.33 135.56 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.716 -0.675 . . . . 3.96 109.959 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -109.04 155.24 21.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.807 0.337 . . . . 6.43 110.404 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -108.22 35.01 3.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.291 0.567 . . . . 8.68 109.804 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.601 -0.727 . . . . 7.87 110.226 -179.38 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.453 -0.659 . . . . 18.18 111.453 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.02 -54.66 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.618 2.212 . . . . 17.81 111.99 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.495 HD22 ' H ' ' A' ' 3' ' ' LEU . 2.6 pt? -79.16 150.88 31.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.097 -0.501 . . . . 17.72 109.987 177.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.52 48.62 2.95 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.735 -0.745 . . . . 15.33 111.951 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -70.61 91.3 0.79 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.044 0.449 . . . . 14.04 110.375 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -84.46 77.32 10.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.14 -0.482 . . . . 12.98 110.162 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -79.09 88.56 4.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.636 -0.711 . . . . 11.34 110.346 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -76.43 -12.86 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.901 -0.59 . . . . 12.19 110.708 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.5 mmm 65.7 -164.81 0.24 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.469 -0.787 . . . . 10.56 111.265 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 63.82 21.88 12.83 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.958 -0.565 . . . . 7.17 111.385 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -87.62 -6.48 58.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.112 0.482 . . . . 9.87 110.902 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -93.05 -39.84 10.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.146 0.498 . . . . 9.6 110.715 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.41 16.45 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.796 -0.638 . . . . 4.79 110.64 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.23 -177.06 45.82 Favored Glycine 0 N--CA 1.441 -0.97 0 N-CA-C 110.731 -0.948 . . . . 2.15 110.731 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -63.02 -26.93 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.133 0.466 . . . . 1.86 111.386 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.37 2.41 73.8 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 121.101 -0.571 . . . . 1.6 113.041 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -114.16 -36.19 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.103 0.408 . . . . 2.66 112.103 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -77.94 159.57 28.76 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.225 -0.297 . . . . 1.39 111.048 -175.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.608 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -47.04 -55.19 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.895 0.747 . . . . 1.28 111.727 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -51.35 -35.55 38.96 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.774 0.657 . . . . 1.1 112.774 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.6 m -71.75 -29.95 65.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.66 111.169 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -89.25 -21.17 23.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.457 -0.338 . . . . 2.49 111.284 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.608 HG21 ' O ' ' A' ' 19' ' ' ALA . 65.1 t -73.39 129.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 1.19 110.118 178.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.2 p -112.95 -25.1 9.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 1.86 111.462 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.44 -177.9 3.27 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.771 -0.455 . . . . 1.88 109.771 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -68.36 110.24 4.01 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.853 -0.795 . . . . 1.08 108.853 169.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -27.65 67.48 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.201 0.815 . . . . 0.99 113.201 -167.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 17.93 73.94 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.782 -0.723 . . . . 0.88 113.667 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.77 31.41 2.51 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.346 0.869 . . . . 1.55 113.346 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.594 ' O ' HD11 ' A' ' 34' ' ' LEU . 8.2 m -131.72 157.13 44.58 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 121.743 -0.598 . . . . 0.95 110.379 172.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.6 t -48.23 -48.07 35.39 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 123.424 0.452 . . . . 2.17 111.481 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.44 ' HB ' ' OE1' ' A' ' 50' ' ' GLU . 23.4 m -79.48 -43.85 22.4 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.534 0.568 . . . . 1.56 112.534 -173.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.596 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 24.4 p -69.27 -12.57 61.78 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.581 -0.7 . . . . 1.18 111.539 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 30' ' ' CYS . 5.3 mp -77.38 -13.78 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.99 0.424 . . . . 1.74 110.819 172.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.8 mt -86.03 15.67 4.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 1.72 110.797 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -82.45 78.5 9.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.388 0.614 . . . . 4.32 110.131 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 82.8 mt -80.3 128.07 74.2 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.31 -0.859 . . . . 4.7 109.673 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 50.9 Cg_exo -54.89 -29.52 64.02 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.543 2.829 . . . . 4.78 113.098 -177.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -86.3 135.52 33.5 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.27 -0.641 . . . . 7.8 109.27 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.44 80.5 3.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.493 0.663 . . . . 6.75 110.644 -176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.15 -19.1 6.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.417 -0.81 . . . . 7.66 110.32 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.35 78.97 6.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.844 -0.616 . . . . 7.81 110.737 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 p -81.63 139.81 34.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.088 -0.506 . . . . 7.25 110.423 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.83 -82.32 1.68 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.62 -0.8 . . . . 5.03 111.406 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.85 85.44 7.39 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.48 -0.933 . . . . 4.83 108.48 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -81.9 1.05 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.585 -0.734 . . . . 5.43 111.977 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.2 m 72.3 136.95 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 O-C-N 124.147 0.905 . . . . 3.35 112.428 175.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -140.51 132.19 27.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.643 -0.708 . . . . 3.21 110.462 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.596 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 15.3 t -53.36 121.73 8.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.314 -0.857 . . . . 0.57 112.007 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' OE1' ' HB ' ' A' ' 32' ' ' THR . 3.4 mp0 -65.28 -17.98 64.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.862 -1.063 . . . . 1.91 111.743 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HG3' ' SG ' ' A' ' 30' ' ' CYS . 99.4 mtt180 -96.07 39.95 1.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.256 0.55 . . . . 3.55 110.314 176.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -114.61 -34.36 5.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.375 -0.83 . . . . 2.25 109.854 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -76.29 125.51 29.31 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.163 -0.926 . . . . 3.34 109.757 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -51.12 123.76 10.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.603 -0.726 . . . . 0.71 111.178 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.88 -10.51 59.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 1.8 110.597 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -133.4 55.63 1.89 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.174 -0.466 . . . . 3.96 110.087 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.28 109.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 2.51 110.862 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.494 ' HA ' ' OG ' ' A' ' 61' ' ' SER . 11.4 t 53.05 58.46 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 121.619 0.723 . . . . 3.96 110.919 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -90.78 -47.5 7.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.99 -0.55 . . . . 6.43 110.442 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -130.09 28.85 4.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.395 0.617 . . . . 8.68 110.39 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.494 ' OG ' ' HA ' ' A' ' 58' ' ' VAL . 8.7 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.437 -0.792 . . . . 7.87 110.51 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 112.077 -0.409 . . . . 18.18 112.077 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -71.08 -26.96 20.89 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.436 2.091 . . . . 17.81 112.114 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.5 tp 54.81 68.9 0.79 Allowed 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.367 0.603 . . . . 17.72 110.153 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.53 128.23 7.37 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.572 -0.74 . . . . 15.33 112.215 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 p -72.4 137.29 46.42 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.957 -0.386 . . . . 14.04 109.957 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.82 -31.22 72.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.861 -0.609 . . . . 12.98 110.426 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -88.84 126.25 35.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.34 -0.985 . . . . 11.34 108.34 172.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -100.2 128.75 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.886 0.374 . . . . 12.19 110.73 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 84.1 mtp -78.7 118.85 21.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.629 . . . . 10.56 111.205 -175.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -148.33 -89.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.357 0.41 . . . . 7.17 110.729 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 62.2 mttp 54.21 74.6 0.33 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.603 0.361 . . . . 9.87 111.144 -175.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 22.8 mmt180 71.78 -11.65 0.73 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.363 0.665 . . . . 9.6 112.002 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 ' H ' ' C ' ' A' ' 11' ' ' LYS . 80.4 t -89.88 142.39 12.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.739 -0.467 . . . . 4.79 109.739 176.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.82 -110.42 1.73 Allowed Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.668 -0.777 . . . . 2.15 111.618 176.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -62.5 -27.06 68.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.204 0.446 . . . . 1.86 112.204 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.26 -2.29 77.27 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.96 -0.638 . . . . 1.6 113.523 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -116.26 -31.05 5.76 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.757 0.651 . . . . 2.66 112.757 -175.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -74.85 157.22 35.47 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 120.674 -0.41 . . . . 1.39 110.806 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.634 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -44.22 -56.73 3.9 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 124.025 0.828 . . . . 1.28 111.463 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -53.18 -30.73 39.05 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.974 0.731 . . . . 1.1 112.974 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 m -71.75 -31.97 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.66 111.011 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -90.54 -21.49 21.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.887 -0.597 . . . . 2.49 111.234 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.634 HG21 ' O ' ' A' ' 19' ' ' ALA . 46.7 t -74.47 133.73 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.97 -0.381 . . . . 1.19 109.97 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -105.47 -37.14 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.787 0.327 . . . . 1.86 111.747 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.77 -172.8 2.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.416 -0.356 . . . . 1.88 110.463 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.7 p-10 -65.45 125.64 25.77 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.348 -0.612 . . . . 1.08 109.348 174.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.2 p -63.89 -26.81 68.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.663 -0.699 . . . . 0.99 111.855 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.23 10.85 83.14 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.034 -0.603 . . . . 0.88 113.155 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.15 28.26 4.12 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.356 0.873 . . . . 1.55 113.356 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.565 ' O ' HD11 ' A' ' 34' ' ' LEU . 32.8 m -114.89 141.93 47.27 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.194 -1.039 . . . . 0.95 108.194 170.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.526 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 13.7 t -51.97 -30.53 25.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.514 -0.551 . . . . 2.17 109.514 171.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -77.82 -50.87 11.45 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.629 -0.714 . . . . 1.56 112.224 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.596 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 24.8 p -73.03 -5.46 38.99 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.708 -0.62 . . . . 1.18 111.597 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD11 ' O ' ' A' ' 30' ' ' CYS . 5.9 mp -83.04 -23.28 33.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.156 0.503 . . . . 1.74 109.837 170.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 31' ' ' SER . 82.0 mt -81.34 -56.56 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.594 -0.73 . . . . 1.72 109.987 175.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 12.3 mm-40 55.5 74.58 0.36 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.588 -0.733 . . . . 4.32 110.884 -177.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.0 mt -80.02 120.62 80.33 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.395 -0.594 . . . . 4.7 109.395 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -72.89 48.72 1.44 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.206 2.604 . . . . 4.78 112.588 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -143.07 24.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.485 -0.561 . . . . 7.8 109.485 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -80.84 53.31 1.91 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.596 -0.729 . . . . 6.75 111.103 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.25 155.17 7.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 7.66 110.465 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.15 63.07 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.192 0.52 . . . . 7.81 110.804 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -138.41 31.06 2.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.707 -0.679 . . . . 7.25 109.673 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.85 20.2 44.4 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.673 -0.775 . . . . 5.03 112.451 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.13 88.74 4.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.942 0.401 . . . . 4.83 109.945 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.87 38.06 0.74 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.187 -0.46 . . . . 5.43 111.353 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.5 p -88.78 61.3 5.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.452 0.644 . . . . 3.35 109.629 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -148.2 176.27 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.254 -0.885 . . . . 3.21 108.902 -174.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.596 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 53.1 t -51.07 121.64 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.614 0.721 . . . . 0.57 111.306 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 25.4 mt-10 -66.93 -16.26 64.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.869 -1.06 . . . . 1.91 111.336 -177.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.487 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 25.4 mmm180 -90.6 28.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.417 0.627 . . . . 3.55 109.929 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -115.64 -5.8 12.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.981 0.896 . . . . 2.25 109.102 171.098 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -100.43 111.46 23.73 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.264 -1.335 . . . . 3.34 109.952 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.8 t -51.45 125.67 15.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 0.71 111.174 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.2 -9.85 58.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.8 110.982 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 56' ' ' ARG . 8.2 mtm180 -137.88 67.06 1.43 Allowed 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.052 -0.722 . . . . 3.96 109.052 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.93 94.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.143 0.497 . . . . 2.51 110.173 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.7 m -123.62 41.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.445 -0.798 . . . . 3.96 111.044 -175.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 60' ' ' ARG . 7.4 pt-20 -61.13 -43.82 98.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 6.43 110.364 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 67.7 mtm180 -123.64 41.06 3.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.406 -0.361 . . . . 8.68 110.161 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.438 -0.791 . . . . 7.87 110.546 179.516 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.218 -0.353 . . . . 18.18 112.218 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -71.5 148.42 54.0 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.226 2.617 . . . . 17.81 112.041 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -63.39 144.17 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 17.72 110.092 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.27 -44.42 3.29 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.746 -0.74 . . . . 15.33 111.848 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 m -82.53 63.17 6.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.902 0.382 . . . . 14.04 110.34 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -85.65 139.17 31.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 12.98 110.817 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -109.13 100.71 9.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 11.34 109.759 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -75.49 -30.92 60.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.182 -0.463 . . . . 12.19 110.281 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -79.1 173.75 12.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.821 -0.627 . . . . 10.56 109.997 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.622 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 67.1 m-85 -78.4 -57.54 3.72 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.746 -0.381 . . . . 7.17 109.976 177.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -155.25 -41.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.499 . . . . 9.87 110.329 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -147.53 49.74 1.08 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.47 . . . . 9.6 109.915 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t 68.89 141.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.263 -0.88 . . . . 4.79 110.92 -174.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.23 157.03 27.27 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.424 -0.893 . . . . 2.15 112.644 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 19.1 p -61.94 -30.93 71.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.178 0.436 . . . . 1.86 112.178 -179.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.14 -4.22 85.9 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.717 -0.754 . . . . 1.6 113.022 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -110.91 -35.64 5.89 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.474 0.546 . . . . 2.66 112.474 -175.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 p -75.46 158.01 33.25 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.791 -0.364 . . . . 1.39 110.836 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.31 -55.61 5.77 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.827 0.705 . . . . 1.28 112.177 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.82 22.98 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.033 0.753 . . . . 1.1 113.033 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 m -77.44 -21.69 52.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.66 111.672 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -89.71 -28.04 19.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.312 0.577 . . . . 2.49 109.977 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 19' ' ' ALA . 35.2 t -76.48 122.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.438 -0.801 . . . . 1.19 109.793 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.9 p -104.07 -14.01 16.07 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.157 0.428 . . . . 1.86 112.157 -175.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -131.44 -172.9 2.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.925 -0.398 . . . . 1.88 109.925 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.5 p-10 -63.47 116.66 5.78 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.931 -0.766 . . . . 1.08 108.931 171.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -61.31 -23.22 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.741 -0.663 . . . . 0.99 112.495 -172.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 77.38 14.19 82.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.829 -0.701 . . . . 0.88 113.077 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -130.21 22.37 5.24 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.084 0.772 . . . . 1.55 113.084 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.53 ' O ' HD11 ' A' ' 34' ' ' LEU . 13.9 m -118.6 136.51 53.84 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.54 -0.911 . . . . 0.95 108.54 170.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 m -52.38 -21.48 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.075 0.464 . . . . 2.17 110.518 172.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -59.02 2.95 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.696 -0.684 . . . . 1.56 111.769 176.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 31.1 p -69.34 -13.06 62.17 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.15 -0.344 . . . . 1.18 111.721 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.53 HD11 ' O ' ' A' ' 30' ' ' CYS . 6.6 mp -76.53 -12.3 60.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.007 0.432 . . . . 1.74 111.015 174.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.9 mt -76.52 -22.56 54.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.116 -0.698 . . . . 1.72 109.116 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 53.56 70.34 0.61 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.959 -0.564 . . . . 4.32 110.993 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 78.1 mt -81.91 121.4 79.16 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.441 -0.799 . . . . 4.7 109.863 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 31.7 Cg_exo -59.15 -49.73 10.34 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.146 2.564 . . . . 4.78 112.619 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -167.65 39.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.08 0.467 . . . . 7.8 110.654 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.76 124.59 27.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.853 -0.612 . . . . 6.75 111.772 -175.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -175.99 110.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.583 -0.735 . . . . 7.66 109.51 175.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.435 ' O ' HD21 ' A' ' 45' ' ' LEU . . . -152.45 109.5 3.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.75 -0.659 . . . . 7.81 110.181 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.6 m 60.41 32.59 20.64 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.465 0.65 . . . . 7.25 110.005 -176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.65 -119.0 4.43 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.383 -0.826 . . . . 5.03 111.305 -175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' O ' ' A' ' 42' ' ' ALA . 4.5 mm? 57.4 57.62 4.3 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.627 0.727 . . . . 4.83 110.724 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -84.26 46.81 1.25 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.096 -0.956 . . . . 5.43 110.223 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.8 m -87.08 41.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.628 -0.715 . . . . 3.35 110.61 -175.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -94.4 -176.82 4.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.726 -0.67 . . . . 3.21 110.443 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 41.9 t -52.19 105.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.012 0.434 . . . . 0.57 109.847 172.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.86 -27.81 68.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.573 . . . . 1.91 111.002 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -88.08 33.57 0.73 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 3.55 110.663 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' HG2' ' SG ' ' A' ' 49' ' ' CYS . 20.1 mmm-85 -114.66 -10.63 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.683 0.754 . . . . 2.25 109.114 167.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -81.89 115.35 21.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.521 -1.218 . . . . 3.34 109.037 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.46 ' HB3' HG12 ' A' ' 57' ' ' ILE . 48.7 t -52.55 116.41 2.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.71 110.141 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.56 -18.12 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 1.8 111.071 -174.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 31.0 mtm-85 -140.45 71.88 1.38 Allowed 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.958 -0.756 . . . . 3.96 108.958 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 HG12 ' HB3' ' A' ' 54' ' ' CYS . 82.1 mt -65.69 92.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.005 -0.543 . . . . 2.51 110.731 178.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -113.47 170.9 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.568 -0.742 . . . . 3.96 109.849 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 53.89 60.56 3.56 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.272 0.558 . . . . 6.43 110.29 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -85.42 52.76 2.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.652 -0.704 . . . . 8.68 111.061 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.534 -0.746 . . . . 7.87 109.778 179.284 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.966 -0.454 . . . . 18.18 111.966 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.97 106.61 1.55 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.892 2.395 . . . . 17.81 112.269 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.3 mt -123.58 132.87 54.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.098 -0.501 . . . . 17.72 109.655 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.37 -13.62 28.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.822 -0.704 . . . . 15.33 112.352 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 m -142.6 70.69 1.33 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.192 0.52 . . . . 14.04 110.424 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 7' ' ' GLN . 6.1 pt-20 -107.24 -31.57 8.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.96 -0.564 . . . . 12.98 111.271 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.404 ' HG3' ' HG3' ' A' ' 6' ' ' GLU . 71.7 mt-30 -127.34 156.63 41.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.216 -0.29 . . . . 11.34 110.216 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 69.81 128.31 0.03 OUTLIER 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.87 0.731 . . . . 12.19 110.876 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 ptp -159.2 178.06 10.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.945 0.402 . . . . 10.56 111.134 -174.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.645 ' HD1' ' CD2' ' A' ' 10' ' ' PHE . 66.1 m-85 -143.77 125.25 14.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.512 -0.767 . . . . 7.17 109.364 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -154.07 -37.96 0.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.954 0.407 . . . . 9.87 110.626 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -89.15 -44.85 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.338 -0.616 . . . . 9.6 109.338 173.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 m -100.03 171.22 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.54 -0.754 . . . . 4.79 110.184 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.66 -120.76 0.6 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.675 -0.774 . . . . 2.15 112.42 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 18.2 p -63.9 -29.87 71.01 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.222 0.452 . . . . 1.86 112.222 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.74 -3.94 81.17 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.919 -0.658 . . . . 1.6 112.926 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -110.61 -36.7 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.437 0.532 . . . . 2.66 112.437 -175.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 p -75.17 157.25 34.89 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.897 -0.321 . . . . 1.39 111.07 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.567 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.53 -52.54 10.25 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.848 0.717 . . . . 1.28 111.679 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -50.61 -38.44 45.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.796 -0.638 . . . . 1.1 112.087 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 m -72.37 -24.39 61.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.428 -0.351 . . . . 0.66 111.728 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -90.14 -20.8 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.957 0.408 . . . . 2.49 110.708 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.567 HG21 ' O ' ' A' ' 19' ' ' ALA . 98.5 t -72.6 -44.74 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.922 -0.581 . . . . 1.19 110.692 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.8 p 62.16 -17.02 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.091 1.356 . . . . 1.86 114.277 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 23' ' ' VAL . 31.9 mt-10 -132.48 174.02 10.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.435 -0.209 . . . . 1.88 110.435 -175.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.87 105.25 2.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 1.08 109.678 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.1 p -62.8 -23.33 67.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.74 -0.664 . . . . 0.99 112.774 -172.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.52 10.94 71.7 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 121.189 -0.529 . . . . 0.88 113.59 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.18 28.81 4.71 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.797 0.665 . . . . 1.55 112.797 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.8 m -104.3 155.79 18.45 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.931 -0.766 . . . . 0.95 108.931 170.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.8 m -49.72 -39.66 37.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.15 0.5 . . . . 2.17 110.205 172.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.5 m -80.96 -52.19 7.71 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.982 0.734 . . . . 1.56 112.982 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.538 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.0 p -68.33 -7.04 27.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.68 -0.637 . . . . 1.18 111.628 -173.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.09 -13.79 60.51 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.671 0.272 . . . . 1.74 111.22 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.7 -2.78 40.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.636 0.235 . . . . 1.72 111.636 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 58.63 79.38 0.22 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.349 0.595 . . . . 4.32 110.014 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.538 ' CD1' ' HA ' ' A' ' 48' ' ' LYS . 46.2 mt -80.48 126.69 78.01 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.63 -0.713 . . . . 4.7 110.885 -175.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -75.76 154.86 39.28 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.35 2.034 . . . . 4.78 111.133 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -84.41 49.43 1.68 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.402 0.62 . . . . 7.8 110.11 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -100.25 130.64 46.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.155 -0.929 . . . . 6.75 110.017 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.1 m -77.71 178.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 7.66 111.191 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.53 24.21 11.8 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.265 0.555 . . . . 7.81 110.865 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 p -111.68 49.79 0.87 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.681 -0.69 . . . . 7.25 110.299 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.91 49.89 3.24 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 115.799 -0.637 . . . . 5.03 113.092 -176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.08 0.65 57.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.643 0.259 . . . . 4.83 110.503 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 46' ' ' PHE . 95.1 m-85 64.0 20.61 12.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.715 -0.675 . . . . 5.43 110.56 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.4 m -94.57 91.05 6.39 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.253 -0.885 . . . . 3.35 109.732 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 68.2 mttm -142.6 177.15 8.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.011 -0.54 . . . . 3.21 109.805 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 52.0 t -53.36 109.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.172 -0.677 . . . . 0.57 109.172 172.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.92 -29.84 68.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.217 -0.901 . . . . 1.91 111.795 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 40.9 mmt180 -91.92 33.35 1.05 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.266 0.555 . . . . 3.55 110.778 175.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.498 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -118.38 -24.38 6.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.675 0.75 . . . . 2.25 109.573 168.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -83.63 111.16 18.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.574 -1.194 . . . . 3.34 109.364 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.401 ' HB3' HG12 ' A' ' 57' ' ' ILE . 53.7 t -50.25 126.29 14.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.668 -0.696 . . . . 0.71 111.528 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.7 -9.33 58.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 1.8 111.038 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 97.1 mtt180 -139.51 65.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.241 -0.652 . . . . 3.96 109.241 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.401 HG12 ' HB3' ' A' ' 54' ' ' CYS . 67.2 mt -63.55 93.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 2.51 110.632 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.0 p -126.48 135.04 64.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.805 -0.634 . . . . 3.96 109.961 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -141.2 52.83 1.56 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.507 0.67 . . . . 6.43 110.105 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -77.97 145.59 35.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.513 -0.767 . . . . 8.68 109.963 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.7 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.804 -1.094 . . . . 7.87 110.209 -175.16 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.765 -0.534 . . . . 18.18 111.765 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.97 -176.67 2.2 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.524 2.149 . . . . 17.81 111.993 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.401 ' HB3' ' HD3' ' A' ' 8' ' ' ARG . 91.1 mt -58.94 -62.38 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.742 0.306 . . . . 17.72 110.9 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.34 52.75 0.57 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.053 -0.594 . . . . 15.33 112.028 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m 68.3 -73.55 0.08 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.098 0.559 . . . . 14.04 111.325 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -120.67 -48.59 2.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.716 -0.476 . . . . 12.98 109.716 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -147.72 146.99 29.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.677 -0.692 . . . . 11.34 110.119 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.577 ' NH1' ' HA ' ' A' ' 22' ' ' GLN . 53.3 mtm180 -82.2 78.33 8.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.017 -0.538 . . . . 12.19 110.711 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 tpt -76.34 -39.51 53.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.411 -0.813 . . . . 10.56 110.045 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.605 ' HE1' ' CE2' ' A' ' 10' ' ' PHE . 20.0 m-85 60.87 -83.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.985 0.803 . . . . 7.17 111.759 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 68.67 3.83 4.07 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.44 0.696 . . . . 9.87 110.525 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -157.78 148.59 21.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.861 -0.609 . . . . 9.6 109.488 177.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t 70.87 -64.75 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 123.682 0.614 . . . . 4.79 111.498 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA2' ' HB2' ' A' ' 54' ' ' CYS . . . -120.54 150.09 17.45 Favored Glycine 0 N--CA 1.439 -1.15 0 C-N-CA 120.786 -0.721 . . . . 2.15 112.877 -176.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.8 p -65.41 -29.87 70.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.889 0.376 . . . . 1.86 111.101 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.4 1.78 85.71 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.84 -0.695 . . . . 1.6 112.402 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -120.1 -36.58 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.995 0.739 . . . . 2.66 112.995 -172.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -77.38 168.93 19.2 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.542 -0.463 . . . . 1.39 111.119 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -43.92 -60.85 1.65 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.311 0.856 . . . . 1.28 113.311 -174.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.6 -30.39 68.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.972 0.36 . . . . 1.1 111.972 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.9 m -77.92 -13.02 60.02 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.986 0.422 . . . . 0.66 111.159 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.577 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 83.2 mm-40 -85.39 -27.96 25.47 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.969 -0.752 . . . . 2.49 108.969 172.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 19' ' ' ALA . 40.3 t -76.99 132.59 32.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.483 -1.235 . . . . 1.19 109.927 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.1 p -123.68 -4.57 8.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.817 0.341 . . . . 1.86 111.271 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -136.62 -170.05 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.099 -0.5 . . . . 1.88 110.548 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -63.62 110.17 1.92 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.675 -0.693 . . . . 1.08 109.775 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.4 p -61.88 -20.06 63.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.565 . . . . 0.99 111.479 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.83 18.04 73.66 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 116.101 -0.5 . . . . 0.88 113.104 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.81 -16.78 8.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.768 0.655 . . . . 1.55 112.768 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.9 138.08 34.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.261 -0.644 . . . . 0.95 109.261 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 p -51.4 -23.96 4.35 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.46 0.475 . . . . 2.17 111.43 174.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.9 -59.66 2.66 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 115.776 -0.647 . . . . 1.56 111.361 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 20.7 p -70.88 -13.7 62.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.356 -0.384 . . . . 1.18 111.586 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.48 -7.89 54.51 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.752 0.31 . . . . 1.74 111.005 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.3 mt -79.21 3.9 16.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.346 -0.388 . . . . 1.72 110.518 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 77.8 mt-30 62.65 50.67 3.39 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.535 -0.757 . . . . 4.32 110.276 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 36' ' ' GLN . 19.1 mt 64.23 116.84 0.02 OUTLIER Pre-proline 0 CA--C 1.529 0.15 0 CA-C-N 115.103 -0.953 . . . . 4.7 111.667 -174.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 10.1 Cg_endo -52.67 121.31 8.93 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.02 2.48 . . . . 4.78 112.101 -177.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -94.87 -68.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.131 -0.486 . . . . 7.8 110.916 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -82.72 -29.29 29.92 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.849 -0.341 . . . . 6.75 110.481 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.75 21.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.193 0.52 . . . . 7.66 110.702 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 38' ' ' PRO . . . -87.03 -13.82 43.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 7.81 110.379 176.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m -80.69 81.57 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 7.25 109.537 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.3 -144.54 17.2 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.672 -0.971 . . . . 5.03 110.672 -173.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 63.06 -174.07 0.15 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.373 0.606 . . . . 4.83 111.764 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -153.82 44.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.858 0.837 . . . . 5.43 109.066 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.4 m -89.4 55.01 3.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.47 -0.786 . . . . 3.35 110.442 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -96.39 156.35 16.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.364 -0.835 . . . . 3.21 111.347 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 40.3 t -52.89 111.08 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.467 -0.788 . . . . 0.57 110.082 173.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 41.9 mt-10 -62.75 -16.3 57.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 1.91 111.377 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -93.16 32.6 1.29 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.892 0.377 . . . . 3.55 110.763 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 18.8 mmm-85 -115.18 -24.94 8.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.475 0.655 . . . . 2.25 110.338 174.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 12.8 ptm180 -83.49 134.79 34.83 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.943 -1.026 . . . . 3.34 110.501 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.425 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . 7.5 t -51.78 126.25 17.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.471 -0.786 . . . . 0.71 110.344 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.68 -35.11 65.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.438 -0.346 . . . . 1.8 111.476 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -102.06 -3.73 27.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.309 0.576 . . . . 3.96 110.704 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 57' ' ' ILE . 31.4 mt 47.84 39.63 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 114.804 -1.089 . . . . 2.51 111.391 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 m -90.83 65.03 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.671 0.748 . . . . 3.96 110.456 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -86.82 27.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.47 -0.787 . . . . 6.43 110.668 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 60.13 39.38 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.616 -0.72 . . . . 8.68 110.631 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.481 -0.771 . . . . 7.87 109.491 177.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.711 -0.555 . . . . 18.18 111.711 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.46 135.08 19.67 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.47 2.113 . . . . 17.81 112.239 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -91.9 130.14 37.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.06 -0.518 . . . . 17.72 109.892 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.72 129.84 11.31 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.707 -0.759 . . . . 15.33 112.232 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 p -110.95 27.02 10.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.252 0.549 . . . . 14.04 110.664 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.51 -51.61 41.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.79 -0.641 . . . . 12.98 109.845 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 47.25 67.53 0.79 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.001 -0.999 . . . . 11.34 110.585 -177.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -135.82 76.89 1.63 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.187 -0.915 . . . . 12.19 108.948 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.8 tpt -76.39 -24.86 54.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.74 -0.664 . . . . 10.56 109.949 -176.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -80.65 106.85 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.722 -0.672 . . . . 7.17 109.484 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -153.93 -37.57 0.1 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.599 -0.728 . . . . 9.87 109.402 -175.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -88.97 -57.78 2.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.364 -0.835 . . . . 9.6 109.74 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.99 69.04 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.657 0.742 . . . . 4.79 109.486 177.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.86 149.62 6.76 Favored Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.221 -0.899 . . . . 2.15 111.544 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 p -67.45 -28.16 67.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.984 0.421 . . . . 1.86 111.177 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.1 -4.93 60.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.123 -0.56 . . . . 1.6 112.936 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -105.92 -38.01 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.975 0.361 . . . . 2.66 111.975 -174.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.65 156.15 27.74 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.6 -0.44 . . . . 1.39 110.869 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.551 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -46.62 -55.25 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.935 0.772 . . . . 1.28 112.236 -176.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.29 -37.11 45.66 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.816 0.673 . . . . 1.1 112.816 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.4 m -74.98 -21.81 58.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.758 0.314 . . . . 0.66 111.502 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -87.13 -23.01 25.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.984 0.421 . . . . 2.49 110.295 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 19' ' ' ALA . 60.4 t -74.15 131.91 34.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.628 -0.714 . . . . 1.19 109.525 175.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 p -111.2 -29.47 7.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.042 0.449 . . . . 1.86 111.684 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -120.85 -175.03 2.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.431 0.634 . . . . 1.88 111.471 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -62.49 108.49 1.14 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.177 -0.919 . . . . 1.08 110.25 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.5 p -59.2 -26.44 64.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.659 -0.701 . . . . 0.99 112.467 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.92 18.07 64.06 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.797 -0.716 . . . . 0.88 113.133 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.4 -0.85 6.29 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.412 0.893 . . . . 1.55 113.412 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.644 ' O ' HD11 ' A' ' 34' ' ' LEU . 10.9 m -101.5 134.32 44.78 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.349 -0.612 . . . . 0.95 109.349 178.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 m -50.93 -22.21 2.13 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.986 0.422 . . . . 2.17 110.974 173.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -80.24 -56.63 4.08 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.024 -0.535 . . . . 1.56 111.595 176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.55 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 23.9 p -70.53 -11.25 60.81 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 122.02 -0.425 . . . . 1.18 112.079 -175.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.644 HD11 ' O ' ' A' ' 30' ' ' CYS . 6.2 mp -75.17 -9.42 58.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.704 0.288 . . . . 1.74 111.423 177.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.4 mt -76.41 -35.29 58.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.423 -0.353 . . . . 1.72 110.192 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 51.96 71.35 0.47 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.777 -0.647 . . . . 4.32 112.101 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.64 138.22 50.95 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.833 -0.432 . . . . 4.7 109.833 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.78 76.92 0.57 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.143 2.562 . . . . 4.78 113.084 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 55.86 43.67 27.18 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.882 -0.599 . . . . 7.8 111.262 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.06 123.52 20.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.609 -0.723 . . . . 6.75 109.965 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 p -69.59 94.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.815 0.817 . . . . 7.66 109.885 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.32 133.52 52.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.462 -0.79 . . . . 7.81 111.089 -175.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.7 m -143.15 -33.55 0.44 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.688 -0.687 . . . . 7.25 109.815 175.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.59 -38.92 6.05 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.952 -0.642 . . . . 5.03 111.911 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.34 122.49 35.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.037 0.446 . . . . 4.83 110.244 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -86.58 65.37 8.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.981 -0.554 . . . . 5.43 110.811 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.2 p -92.19 28.2 1.97 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.756 -0.657 . . . . 3.35 110.292 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -91.18 150.37 21.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.587 -0.733 . . . . 3.21 110.68 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.55 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 15.7 t -53.08 124.56 14.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.285 0.564 . . . . 0.57 110.536 174.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.514 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 33.1 mt-10 -64.63 -15.38 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.263 -0.88 . . . . 1.91 111.842 -176.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -90.99 30.57 1.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.427 0.632 . . . . 3.55 109.927 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.498 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -111.42 -10.23 14.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.181 -0.918 . . . . 2.25 108.576 170.481 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -86.83 112.72 22.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.137 -1.392 . . . . 3.34 110.04 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 t -52.7 131.7 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 0.71 110.344 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.66 -38.16 62.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 1.8 111.574 -173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -107.28 -1.78 21.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.045 0.45 . . . . 3.96 111.318 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 57' ' ' ILE . 28.0 mt 47.73 44.93 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 114.991 -1.004 . . . . 2.51 111.259 -178.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.8 t -81.49 69.68 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.716 0.77 . . . . 3.96 110.101 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -114.5 19.39 16.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.262 -0.881 . . . . 6.43 109.378 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -60.91 109.07 0.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.307 -0.86 . . . . 8.68 111.064 -177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.678 -0.677 . . . . 7.87 110.022 177.4 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 112.141 -0.384 . . . . 18.18 112.141 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.09 143.91 61.46 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.535 2.157 . . . . 17.81 112.066 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.8 tp 62.8 54.88 2.19 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.642 0.734 . . . . 17.72 110.485 -176.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.79 -174.32 46.76 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.573 -0.74 . . . . 15.33 111.732 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -105.04 -54.23 2.53 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.945 -0.391 . . . . 14.04 109.945 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 55.64 71.53 0.54 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.692 0.62 . . . . 12.98 110.872 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -108.46 -60.62 1.71 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.257 -0.429 . . . . 11.34 110.324 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 60.46 91.82 0.05 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.811 0.695 . . . . 12.19 111.339 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.2 mtm 67.07 -153.95 0.21 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.568 -0.742 . . . . 10.56 109.994 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' HE2' ' NH2' ' A' ' 52' ' ' ARG . 58.6 m-85 -76.93 135.72 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.119 0.485 . . . . 7.17 110.429 177.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 13' ' ' VAL . 53.4 tttp -150.62 105.44 3.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.449 -0.796 . . . . 9.87 109.404 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 71.12 -28.38 0.18 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.952 0.901 . . . . 9.6 112.017 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 11' ' ' LYS . 21.0 m -91.47 -1.57 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.018 0.437 . . . . 4.79 110.417 174.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.2 78.89 1.53 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.22 -0.752 . . . . 2.15 111.22 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -63.81 -27.13 68.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.976 0.417 . . . . 1.86 111.427 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.17 8.02 64.33 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.95 -0.568 . . . . 1.6 112.723 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -113.6 -41.64 3.59 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.889 -0.183 . . . . 2.66 111.215 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -79.87 152.9 29.39 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.033 -0.358 . . . . 1.39 110.033 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.581 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -44.93 -55.51 5.4 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.823 0.702 . . . . 1.28 112.239 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.85 -42.47 36.55 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.889 0.7 . . . . 1.1 112.889 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -72.55 -16.16 61.76 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.837 0.31 . . . . 0.66 111.837 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -89.18 -19.95 24.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.43 0.634 . . . . 2.49 109.996 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 19' ' ' ALA . 39.1 t -77.07 157.72 5.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.764 -1.107 . . . . 1.19 110.242 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.447 HG22 ' HG3' ' A' ' 25' ' ' GLU . 13.4 t -140.75 3.38 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.827 0.346 . . . . 1.86 111.257 175.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.447 ' HG3' HG22 ' A' ' 24' ' ' THR . 21.3 mt-10 -137.59 176.75 8.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.361 -0.381 . . . . 1.88 110.397 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -68.08 117.15 9.54 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.596 -0.89 . . . . 1.08 108.596 167.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.2 p -59.24 -28.41 66.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.274 0.842 . . . . 0.99 113.274 -169.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.537 ' C ' HD12 ' A' ' 34' ' ' LEU . . . 81.71 19.79 65.07 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.457 -0.878 . . . . 0.88 112.922 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.44 -6.95 6.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.027 0.751 . . . . 1.55 113.027 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.555 ' O ' HD11 ' A' ' 34' ' ' LEU . 12.9 m -97.02 130.58 44.32 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.066 -0.716 . . . . 0.95 109.066 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.499 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.1 p -52.57 -22.37 4.89 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.329 0.393 . . . . 2.17 110.895 173.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.8 m -78.31 -55.86 4.91 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.068 -0.514 . . . . 1.56 111.576 174.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.476 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 19.5 p -69.19 -16.11 63.54 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 122.061 -0.4 . . . . 1.18 111.447 -175.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.555 HD11 ' O ' ' A' ' 30' ' ' CYS . 8.5 mp -77.32 -14.75 59.67 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.805 0.298 . . . . 1.74 111.805 176.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 31' ' ' SER . 98.0 mt -78.36 -9.39 59.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.701 0.286 . . . . 1.72 111.541 -175.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 59.74 34.22 21.96 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.806 -0.633 . . . . 4.32 111.503 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -80.48 123.34 82.9 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.192 -0.458 . . . . 4.7 110.933 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.29 148.04 73.37 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.738 2.292 . . . . 4.78 111.318 174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -99.19 89.04 4.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.136 0.493 . . . . 7.8 109.948 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -90.38 -40.06 12.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.698 -0.683 . . . . 6.75 109.958 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.6 169.74 21.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.72 -0.673 . . . . 7.66 110.564 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.21 27.09 5.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.683 -0.689 . . . . 7.81 109.69 175.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.0 t -110.9 126.93 55.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.511 -0.768 . . . . 7.25 110.201 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.51 -51.46 2.07 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.892 -0.67 . . . . 5.03 112.44 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.4 mt -129.82 164.85 23.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.859 0.361 . . . . 4.83 111.136 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -139.62 80.83 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 5.43 109.255 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.6 p -86.48 52.77 2.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.78 -0.645 . . . . 3.35 111.132 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.49 143.84 25.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.758 -0.656 . . . . 3.21 110.95 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.58 130.79 41.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.57 109.572 170.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.23 -14.35 60.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 1.91 111.96 -174.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -99.59 34.24 2.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.361 0.601 . . . . 3.55 110.458 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -118.0 -21.62 8.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.711 -0.677 . . . . 2.25 109.419 172.668 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' O ' HD23 ' A' ' 55' ' ' LEU . 57.3 mtp180 -89.18 122.62 32.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.366 -0.834 . . . . 3.34 109.782 177.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 37.4 t -53.93 115.53 2.07 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.09 0.244 . . . . 0.71 110.654 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 53' ' ' ARG . 2.9 mm? -77.74 -11.65 59.9 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.887 0.375 . . . . 1.8 111.141 -178.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -139.37 67.23 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.654 -0.498 . . . . 3.96 109.654 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.06 116.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.468 -0.787 . . . . 2.51 111.13 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -95.13 150.44 4.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.724 -0.671 . . . . 3.96 109.852 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 62.37 75.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.435 0.636 . . . . 6.43 110.259 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -139.45 156.35 47.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.916 -0.583 . . . . 8.68 110.662 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.445 -0.788 . . . . 7.87 110.114 179.743 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.47 -0.652 . . . . 18.18 111.47 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.7 -5.78 15.14 Favored 'Trans proline' 0 N--CA 1.475 0.398 0 C-N-CA 122.915 2.41 . . . . 17.81 112.566 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' H ' HD21 ' A' ' 3' ' ' LEU . 1.9 pt? -121.99 28.26 7.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.763 -0.653 . . . . 17.72 109.43 177.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.55 -126.66 7.69 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.579 -0.737 . . . . 15.33 111.48 -176.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m -125.77 -44.6 1.8 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.29 -0.263 . . . . 14.04 110.29 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 53.72 59.32 4.39 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.375 0.607 . . . . 12.98 111.029 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -98.14 101.94 13.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.465 -0.789 . . . . 11.34 109.881 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -78.43 -21.49 49.1 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.868 -0.333 . . . . 12.19 110.877 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.0 mtt 53.83 29.97 10.61 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.576 0.75 . . . . 10.56 113.008 171.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 57.51 27.2 13.69 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.922 0.392 . . . . 7.17 111.543 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 96.1 mttt -86.27 8.41 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 9.87 110.831 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -149.72 -70.69 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.353 0.596 . . . . 9.6 109.78 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.07 137.8 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 4.79 109.974 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.47 -126.42 0.82 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.294 -0.955 . . . . 2.15 112.949 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -59.58 -33.31 71.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.517 0.562 . . . . 1.86 112.517 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.16 0.34 90.16 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.724 -0.75 . . . . 1.6 112.977 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -110.71 -37.96 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.066 0.433 . . . . 2.66 111.878 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.7 p -76.53 156.78 32.61 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.961 -0.295 . . . . 1.39 110.969 -173.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -43.48 -57.07 3.28 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 124.061 0.851 . . . . 1.28 112.694 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.56 -31.34 64.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.625 0.602 . . . . 1.1 112.625 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.8 m -73.4 -23.29 60.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.66 111.124 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -89.18 -28.8 19.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.327 -0.397 . . . . 2.49 110.64 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' ' 19' ' ' ALA . 99.4 t -72.71 132.12 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 1.19 109.895 177.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 p -111.77 -27.85 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.004 0.372 . . . . 1.86 112.004 -176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.04 -176.91 4.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.408 -0.36 . . . . 1.88 110.569 -176.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.69 120.66 13.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.532 0.682 . . . . 1.08 110.485 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -25.49 67.26 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.388 -0.824 . . . . 0.99 111.436 177.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.36 4.88 90.01 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.964 -0.562 . . . . 0.88 114.495 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.59 26.0 4.4 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.951 0.875 . . . . 1.55 112.426 -178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.8 m -116.68 158.57 23.57 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.431 -0.581 . . . . 0.95 109.431 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -48.29 -49.58 33.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.156 0.503 . . . . 2.17 110.825 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -33.22 56.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.997 -0.547 . . . . 1.56 111.559 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -64.65 -27.62 69.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 1.18 111.564 178.244 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' ' 30' ' ' CYS . 7.5 mp -78.23 -15.71 58.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.146 0.498 . . . . 1.74 110.453 176.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.3 mt -84.49 7.21 20.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.859 -0.61 . . . . 1.72 110.085 175.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -79.97 88.02 5.36 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.289 0.566 . . . . 4.32 109.942 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.8 mt -80.88 139.4 50.0 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.403 -0.817 . . . . 4.7 110.009 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.99 42.17 0.81 Allowed 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.906 2.404 . . . . 4.78 112.581 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -170.73 85.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.668 -0.696 . . . . 7.8 109.614 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.88 125.92 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.688 -0.687 . . . . 6.75 110.257 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.6 m -85.14 -12.95 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.438 -0.346 . . . . 7.66 110.684 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 73.91 -40.33 0.45 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 124.063 0.852 . . . . 7.81 111.754 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 m -80.08 59.56 3.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.121 0.486 . . . . 7.25 111.258 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.89 -120.74 6.67 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.744 -0.741 . . . . 5.03 112.652 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.27 88.03 0.1 Allowed 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.193 0.597 . . . . 4.83 109.513 -175.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -76.79 116.44 17.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.555 0.693 . . . . 5.43 110.499 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.4 p -147.75 40.39 0.99 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.411 -0.813 . . . . 3.35 110.071 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -85.84 107.64 17.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.328 -0.851 . . . . 3.21 110.086 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 51' ' ' ARG . 18.4 t -50.41 133.86 24.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.455 -0.793 . . . . 0.57 112.26 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.81 -16.94 61.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.199 -0.909 . . . . 1.91 111.233 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.491 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 26.1 mmm180 -92.12 29.11 1.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.517 . . . . 3.55 110.221 177.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.81 -17.4 13.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.518 -0.764 . . . . 2.25 109.413 173.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 80.2 mtp180 -80.91 127.11 32.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.728 -1.123 . . . . 3.34 110.128 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' HB3' HG12 ' A' ' 57' ' ' ILE . 49.4 t -50.94 117.79 2.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.643 -0.708 . . . . 0.71 111.358 -178.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.87 -10.04 59.36 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.273 0.559 . . . . 1.8 110.546 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -140.16 65.45 1.42 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.629 -0.714 . . . . 3.96 110.042 -175.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.505 HG12 ' HB3' ' A' ' 54' ' ' CYS . 69.5 mt -71.46 97.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.167 0.508 . . . . 2.51 110.189 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.5 p -103.69 56.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.429 1.109 . . . . 3.96 109.577 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.59 168.83 17.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.161 -0.927 . . . . 6.43 110.597 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -131.28 83.85 2.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.792 -0.447 . . . . 8.68 109.792 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.4 -0.809 . . . . 7.87 110.45 179.654 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.975 -0.45 . . . . 18.18 111.975 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.13 -22.65 67.32 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.81 2.34 . . . . 17.81 112.62 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.8 mt -75.6 122.6 24.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.347 . . . . 17.72 110.091 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.91 16.39 56.3 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.639 -0.791 . . . . 15.33 112.03 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -72.55 -43.19 63.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.493 -0.558 . . . . 14.04 109.493 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -123.2 109.85 14.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.664 -0.698 . . . . 12.98 109.374 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -75.57 107.57 7.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.996 0.426 . . . . 11.34 110.743 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' C ' ' H ' ' A' ' 10' ' ' PHE . 68.6 mtp180 -64.58 148.71 50.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.685 -0.689 . . . . 12.19 110.395 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.2 tpt 74.78 -10.89 1.12 Allowed 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.717 0.636 . . . . 10.56 110.924 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.612 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 64.7 m-85 50.51 72.1 0.37 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.232 0.613 . . . . 7.17 112.612 170.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -85.52 118.07 24.81 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.722 -0.473 . . . . 9.87 109.722 174.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 59.88 32.3 21.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.915 0.864 . . . . 9.6 109.608 -173.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.7 t -142.82 145.03 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.236 -0.893 . . . . 4.79 109.129 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.62 -158.25 10.09 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.545 -0.836 . . . . 2.15 112.014 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.7 p -61.59 -31.64 71.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.738 0.304 . . . . 1.86 111.734 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.09 -21.31 42.77 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.038 -0.601 . . . . 1.6 113.246 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -103.63 -26.96 12.59 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.659 0.614 . . . . 2.66 112.659 -171.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 p -78.36 157.65 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.329 -0.548 . . . . 1.39 110.587 -176.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.591 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -43.97 -56.84 3.67 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 124.076 0.86 . . . . 1.28 112.436 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.67 63.86 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.425 0.528 . . . . 1.1 112.425 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.7 m -72.44 -30.38 64.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 0.66 111.318 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -88.52 -8.67 54.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.116 0.484 . . . . 2.49 110.239 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.591 HG21 ' O ' ' A' ' 19' ' ' ALA . 95.9 t -76.04 147.58 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.537 -0.756 . . . . 1.19 109.516 174.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -109.88 -41.99 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.0 0.37 . . . . 1.86 112.0 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -118.5 -176.96 3.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.799 0.333 . . . . 1.88 110.978 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.79 138.02 57.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.14 -0.689 . . . . 1.08 109.14 173.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 p -64.67 -21.35 66.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.048 0.759 . . . . 0.99 113.048 -173.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 71.97 18.75 77.91 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.934 -0.65 . . . . 0.88 113.342 -176.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.17 14.9 3.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.791 1.034 . . . . 1.55 113.791 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.575 ' O ' HD11 ' A' ' 34' ' ' LEU . 27.0 m -103.87 140.75 37.24 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.494 -0.928 . . . . 0.95 108.494 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.2 p -50.87 -27.63 7.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.406 0.622 . . . . 2.17 110.306 172.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -56.75 4.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.445 -0.798 . . . . 1.56 111.794 178.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.499 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 21.8 p -69.63 -9.25 53.42 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.125 -0.359 . . . . 1.18 111.826 -174.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.575 HD11 ' O ' ' A' ' 30' ' ' CYS . 7.8 mp -81.82 -2.08 49.71 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.03 0.381 . . . . 1.74 112.03 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.4 mt -75.3 -16.12 60.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.08 0.467 . . . . 1.72 111.256 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 59.37 47.97 10.61 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.009 -0.996 . . . . 4.32 110.645 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.1 mt -79.34 115.13 50.79 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 4.7 110.823 -176.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.23 52.43 4.32 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.897 2.398 . . . . 4.78 111.716 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 18.8 m-70 -124.7 56.52 1.3 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.88 -0.6 . . . . 7.8 110.872 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.47 -46.53 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.922 0.391 . . . . 6.75 110.095 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 m -76.68 -29.74 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.232 0.539 . . . . 7.66 109.894 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 39' ' ' HIS . . . -104.34 59.59 0.71 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.633 -0.712 . . . . 7.81 109.548 174.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 p -76.83 63.64 2.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.539 -0.755 . . . . 7.25 111.874 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.13 -2.94 70.5 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.357 -0.697 . . . . 5.03 111.357 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -91.57 105.77 18.0 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.722 -0.473 . . . . 4.83 109.722 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -84.33 -4.65 59.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.035 -0.53 . . . . 5.43 110.718 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.3 m -89.75 78.91 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.399 -0.593 . . . . 3.35 109.399 173.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -98.97 -179.64 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.656 -0.702 . . . . 3.21 111.566 -175.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.5 t -54.21 129.72 36.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.57 110.601 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.54 -21.44 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.883 -0.598 . . . . 1.91 112.297 -177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -93.98 24.23 4.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.349 0.595 . . . . 3.55 110.676 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -113.84 -11.24 12.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.818 0.818 . . . . 2.25 108.988 172.446 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -87.66 114.01 23.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.504 -1.226 . . . . 3.34 109.859 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.3 t -50.57 128.76 21.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 0.71 111.318 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.93 -4.86 49.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.8 110.847 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HB3' ' HB2' ' A' ' 59' ' ' GLU . 94.1 mtt180 -138.21 61.43 1.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.368 -0.378 . . . . 3.96 110.019 -176.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.18 114.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.09 -0.504 . . . . 2.51 110.596 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 t 58.4 63.75 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 121.645 0.735 . . . . 3.96 110.179 -176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' HB2' ' HB3' ' A' ' 56' ' ' ARG . 10.5 tp10 -101.2 106.4 17.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.413 -0.812 . . . . 6.43 110.5 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -70.94 102.32 2.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.062 0.458 . . . . 8.68 109.786 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.695 -0.669 . . . . 7.87 110.593 -176.713 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.562 -0.615 . . . . 18.18 111.562 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.63 -40.78 62.15 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.897 2.398 . . . . 17.81 112.428 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.9 mt -106.58 89.38 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.378 -0.373 . . . . 17.72 110.208 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.81 -53.36 11.74 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.761 -0.733 . . . . 15.33 111.337 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 m -86.0 94.59 9.26 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.869 -0.419 . . . . 14.04 109.869 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -100.12 23.79 9.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.037 0.446 . . . . 12.98 111.586 -175.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -104.82 45.72 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.628 0.728 . . . . 11.34 109.625 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -108.73 73.81 0.88 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.524 -0.762 . . . . 12.19 109.969 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.41 ' HG2' ' CD2' ' A' ' 10' ' ' PHE . 57.7 ttp -76.14 125.75 29.73 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.407 -0.59 . . . . 10.56 109.407 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' CD2' ' HG2' ' A' ' 9' ' ' MET . 70.7 m-85 66.7 84.4 0.16 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 124.009 0.818 . . . . 7.17 110.577 -174.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -150.79 -35.21 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.153 -0.476 . . . . 9.87 110.63 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -82.64 -17.97 42.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.112 0.482 . . . . 9.6 109.972 178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 p -93.34 -18.52 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.669 -0.696 . . . . 4.79 109.801 172.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.86 -146.09 16.4 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.811 -0.709 . . . . 2.15 112.45 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 18.5 p -63.07 -31.73 72.94 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.045 0.757 . . . . 1.86 113.045 -177.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.2 -4.55 85.38 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.643 -0.789 . . . . 1.6 113.398 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -116.16 -22.61 8.83 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 117.506 0.653 . . . . 2.66 112.737 -175.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -81.92 160.82 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.524 -0.471 . . . . 1.39 110.338 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.584 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.82 -57.26 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.836 0.71 . . . . 1.28 111.959 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.58 -34.01 35.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.423 0.527 . . . . 1.1 112.423 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 m -72.73 -26.09 61.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.016 0.376 . . . . 0.66 112.016 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -91.56 -13.68 31.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.145 0.498 . . . . 2.49 110.717 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 19' ' ' ALA . 95.9 t -74.56 139.64 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.741 -0.663 . . . . 1.19 110.756 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.2 p -101.99 -42.65 6.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.39 -0.368 . . . . 1.86 111.3 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -121.04 142.89 49.39 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.642 -0.503 . . . . 1.88 109.642 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.514 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -67.19 157.44 33.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.238 0.542 . . . . 1.08 110.218 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -28.32 69.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.206 -0.907 . . . . 0.99 113.049 -170.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.96 8.05 46.79 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 114.347 0.499 . . . . 0.88 114.347 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.23 -2.95 3.92 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.364 1.246 . . . . 1.55 114.364 -174.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.475 ' O ' HD11 ' A' ' 34' ' ' LEU . 15.0 p -102.29 143.97 31.38 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 118.944 0.793 . . . . 0.95 110.081 -176.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -48.97 -22.31 0.84 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.184 0.928 . . . . 2.17 113.14 -170.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.4 m -75.57 -57.14 4.06 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.206 -0.197 . . . . 1.56 111.191 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.4 p -71.04 -13.21 61.91 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.976 0.417 . . . . 1.18 111.319 -178.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD11 ' O ' ' A' ' 30' ' ' CYS . 8.1 mp -78.95 -0.03 29.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 1.74 111.317 177.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.12 -30.1 60.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.632 -0.507 . . . . 1.72 109.632 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 54.78 51.38 13.86 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.4 0.437 . . . . 4.32 111.127 172.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.23 129.78 62.35 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.867 -0.606 . . . . 4.7 110.274 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -65.61 -25.38 54.68 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.794 2.329 . . . . 4.78 112.274 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -104.05 105.3 15.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 7.8 110.224 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -74.72 107.79 7.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.252 -0.431 . . . . 6.75 110.076 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.6 m -101.1 120.63 50.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.245 0.545 . . . . 7.66 110.823 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.86 -13.26 10.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.621 -0.718 . . . . 7.81 111.206 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 m -110.19 50.25 0.81 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.791 0.805 . . . . 7.25 109.055 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 45' ' ' LEU . . . 143.82 135.71 3.01 Favored Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 110.106 -1.198 . . . . 5.03 110.106 -174.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 4.5 mm? 67.27 177.86 0.24 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.038 0.447 . . . . 4.83 110.692 -175.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -148.34 71.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.083 -0.508 . . . . 5.43 109.704 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.9 p -94.13 13.57 22.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.795 -0.638 . . . . 3.35 110.58 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -87.76 138.92 31.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.455 -0.793 . . . . 3.21 110.996 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 53.2 t -48.08 141.94 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.423 -0.808 . . . . 0.57 110.704 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.7 -22.04 61.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.847 -0.615 . . . . 1.91 111.443 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -97.02 21.59 9.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.094 0.473 . . . . 3.55 110.879 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.633 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -125.35 -35.38 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.474 . . . . 2.25 110.647 176.632 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -81.45 118.11 22.43 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.893 -0.594 . . . . 3.34 110.461 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.7 t -54.29 125.21 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.748 -0.66 . . . . 0.71 111.046 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -78.45 -3.04 41.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.491 . . . . 1.8 111.168 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 97.4 mtt180 -142.12 68.87 1.32 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.554 -0.536 . . . . 3.96 109.554 -176.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.7 mt -66.32 90.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.287 0.565 . . . . 2.51 110.51 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 m -92.3 76.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.859 0.838 . . . . 3.96 111.41 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -87.86 13.8 10.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.649 -0.705 . . . . 6.43 110.547 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 69.15 10.8 8.03 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.544 -0.753 . . . . 8.68 111.384 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.116 -0.945 . . . . 7.87 111.373 178.712 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.512 -0.635 . . . . 18.18 111.512 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.8 70.41 4.32 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 123.146 2.564 . . . . 17.81 112.428 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.87 119.59 12.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.323 -0.399 . . . . 17.72 110.456 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.45 1.08 64.49 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.895 -0.669 . . . . 15.33 111.863 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -123.27 105.36 9.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.803 0.335 . . . . 14.04 110.586 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -68.38 97.0 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.949 -0.569 . . . . 12.98 109.559 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -138.34 76.61 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 11.34 111.117 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 8' ' ' ARG . 19.1 tpt180 -81.8 -27.17 33.82 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.88 -0.785 . . . . 12.19 108.88 173.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.7 mtt -78.16 150.59 33.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.288 -0.869 . . . . 10.56 109.502 171.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.534 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 66.7 m-85 55.38 63.58 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.586 0.554 . . . . 7.17 111.239 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -84.89 -28.21 26.13 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.06 -0.718 . . . . 9.87 109.06 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -143.96 147.75 34.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.047 -0.979 . . . . 9.6 109.071 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t 60.89 66.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.637 0.732 . . . . 4.79 110.069 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 10' ' ' PHE . . . 124.3 114.84 2.1 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.555 -0.748 . . . . 2.15 111.579 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -68.64 -20.95 64.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.845 0.355 . . . . 1.86 110.958 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 101.26 -31.39 8.72 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.794 -0.717 . . . . 1.6 113.966 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -106.47 -12.3 15.67 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.323 0.86 . . . . 2.66 113.323 -171.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -81.28 150.25 28.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.669 -0.493 . . . . 1.39 109.669 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.545 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -47.13 -63.81 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 1.28 110.812 178.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -55.96 -32.44 63.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.588 -0.733 . . . . 1.1 112.494 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.478 ' SG ' ' HA2' ' A' ' 14' ' ' GLY . 33.8 m -78.92 -9.73 59.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.124 0.416 . . . . 0.66 112.124 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 48.0 mt-30 -94.38 -31.59 13.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.39 0.614 . . . . 2.49 109.474 172.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.545 HG21 ' O ' ' A' ' 19' ' ' ALA . 42.3 t -76.76 141.0 16.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.035 -0.984 . . . . 1.19 109.988 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.3 t -136.09 5.59 3.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.469 0.652 . . . . 1.86 110.518 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -120.79 156.74 31.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.448 -0.796 . . . . 1.88 109.662 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.13 106.83 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.004 -0.739 . . . . 1.08 109.004 170.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.3 p -57.08 -24.79 56.45 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.256 0.836 . . . . 0.99 113.256 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.506 ' C ' HD12 ' A' ' 34' ' ' LEU . . . 77.37 19.27 76.85 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.582 -0.818 . . . . 0.88 113.005 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.93 2.23 5.96 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.188 0.81 . . . . 1.55 113.188 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.605 ' O ' HD11 ' A' ' 34' ' ' LEU . 14.0 m -103.43 135.08 45.71 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.72 -0.845 . . . . 0.95 108.72 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 m -51.59 -21.39 2.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.989 0.424 . . . . 2.17 110.649 172.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.4 m -82.14 -55.93 4.25 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.802 -0.635 . . . . 1.56 112.295 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.575 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 29.8 p -68.22 -13.65 62.4 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.796 -0.565 . . . . 1.18 111.966 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD11 ' O ' ' A' ' 30' ' ' CYS . 8.6 mp -78.67 -11.84 59.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 1.74 110.957 175.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.34 8.01 20.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 1.72 111.426 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -82.19 60.0 4.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.441 0.639 . . . . 4.32 110.202 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.3 mt -82.69 145.3 50.35 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.249 -0.887 . . . . 4.7 110.163 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.13 23.35 0.58 Allowed 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.842 2.362 . . . . 4.78 112.788 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -142.77 42.38 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.29 -0.414 . . . . 7.8 110.176 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.65 121.46 17.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.435 0.636 . . . . 6.75 109.974 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.01 -15.42 10.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.755 -0.657 . . . . 7.66 110.743 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.45 118.32 23.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.257 -0.429 . . . . 7.81 110.612 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.1 p -69.75 113.49 7.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 7.25 110.351 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.39 22.96 25.49 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.762 -0.732 . . . . 5.03 111.906 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.14 114.68 3.57 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.522 -0.547 . . . . 4.83 109.522 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -79.75 112.07 16.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.198 -0.456 . . . . 5.43 110.213 -176.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.5 p -140.53 34.58 1.84 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.377 0.608 . . . . 3.35 110.801 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -86.84 124.1 32.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.856 -0.611 . . . . 3.21 110.772 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 52.9 t -52.2 125.8 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.327 -0.852 . . . . 0.57 111.047 178.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 30.9 mt-10 -66.52 -18.35 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.143 -0.935 . . . . 1.91 111.346 -177.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 26.2 mtm180 -103.72 33.74 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.343 0.592 . . . . 3.55 110.369 172.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -115.44 -23.55 8.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.304 -0.862 . . . . 2.25 109.577 168.432 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -84.34 120.04 25.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.513 -1.221 . . . . 3.34 110.238 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.2 t -54.59 130.4 39.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.172 0.51 . . . . 0.71 111.516 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.27 -25.69 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.527 -0.761 . . . . 1.8 111.232 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.0 ptt85 -142.42 72.46 1.38 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.802 0.81 . . . . 3.96 110.19 -175.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.0 129.33 22.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.847 -1.07 . . . . 2.51 111.276 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.1 m -104.65 -7.72 9.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.377 0.608 . . . . 3.96 111.023 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -105.86 83.75 1.96 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.475 -0.784 . . . . 6.43 109.836 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -127.59 137.4 52.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.412 -0.358 . . . . 8.68 110.54 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.588 -0.72 . . . . 7.87 110.084 -179.34 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.003 -0.439 . . . . 18.18 112.003 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.98 -14.07 29.16 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.787 2.325 . . . . 17.81 113.188 -178.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.72 128.4 36.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.957 0.408 . . . . 17.72 110.668 -179.117 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.34 178.63 24.51 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.847 -0.615 . . . . 15.33 111.712 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 m -75.49 94.56 3.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.028 0.442 . . . . 14.04 110.207 178.209 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.12 158.78 20.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.096 -0.502 . . . . 12.98 110.991 -177.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.51 ' NE2' HH12 ' A' ' 60' ' ' ARG . 3.7 pt20 -138.44 154.04 48.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.803 -0.635 . . . . 11.34 110.287 176.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -83.56 52.1 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.977 -0.556 . . . . 12.19 110.653 177.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 65.38 -84.4 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.188 -0.915 . . . . 10.56 111.586 -178.34 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -150.52 -170.93 3.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.155 -0.313 . . . . 7.17 110.155 -177.016 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -83.64 -59.92 2.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.153 0.502 . . . . 9.87 109.896 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -134.24 44.77 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.571 -0.74 . . . . 9.6 109.179 179.221 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.575 ' HB ' ' NH2' ' A' ' 52' ' ' ARG . 45.6 t 59.97 80.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.517 -0.765 . . . . 4.79 110.329 -174.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 136.03 144.03 4.8 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.469 -0.787 . . . . 2.15 112.376 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 16' ' ' GLY . 22.6 p -67.81 -59.99 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.598 0.237 . . . . 1.86 110.887 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.472 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . 161.3 -32.31 0.36 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.664 -0.779 . . . . 1.6 113.835 177.768 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -104.18 -13.17 16.31 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.266 1.21 . . . . 2.66 114.266 -169.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 m -80.9 158.98 25.11 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.181 -0.608 . . . . 1.39 109.627 178.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.542 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -48.43 -61.23 2.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 1.28 110.643 175.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.14 -41.2 26.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.567 -0.742 . . . . 1.1 112.312 174.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.9 m -77.89 -9.49 59.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.95 -0.568 . . . . 0.66 112.027 -176.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -87.74 -26.46 22.9 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.151 -0.685 . . . . 2.49 109.151 170.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 19' ' ' ALA . 53.5 t -77.13 139.21 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.659 -1.155 . . . . 1.19 110.72 -178.206 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -121.55 -20.81 6.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.415 -0.357 . . . . 1.86 111.765 -178.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -133.42 -170.08 2.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.061 0.458 . . . . 1.88 110.764 -177.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -65.56 112.3 3.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.64 -0.709 . . . . 1.08 109.622 171.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.42 ' SG ' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -63.79 -30.59 71.66 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.831 -0.622 . . . . 0.99 110.837 -179.602 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.01 6.07 82.56 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.723 -0.671 . . . . 0.88 113.951 174.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.01 31.97 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.541 0.671 . . . . 1.55 111.942 -178.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.2 m -124.35 155.43 38.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 119.411 -0.328 . . . . 0.95 110.259 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -46.9 -50.82 18.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.969 0.414 . . . . 2.17 111.21 178.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 49' ' ' CYS . 7.7 m -77.05 -31.03 55.89 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.209 -0.451 . . . . 1.56 111.267 -179.493 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.502 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.2 m -68.45 -28.15 66.8 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.848 0.314 . . . . 1.18 111.848 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.412 HD11 ' O ' ' A' ' 30' ' ' CYS . 5.7 mp -76.38 -13.29 60.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.8 0.333 . . . . 1.74 110.78 179.326 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.4 mt -83.19 -8.65 59.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.14 -0.482 . . . . 1.72 110.07 175.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -84.48 79.9 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.913 -0.585 . . . . 4.32 110.017 -177.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 70.8 mt -80.64 135.48 52.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.707 -0.679 . . . . 4.7 110.461 -178.41 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 54.3 Cg_exo -51.6 -65.71 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.38 2.72 . . . . 4.78 114.647 -171.19 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -144.31 -0.62 0.97 Allowed 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.504 0.557 . . . . 7.8 112.504 -173.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -89.62 13.95 12.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.768 0.318 . . . . 6.75 111.768 -172.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.1 m -121.13 117.59 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.121 0.486 . . . . 7.66 110.549 175.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.55 57.83 3.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.145 -0.48 . . . . 7.81 110.64 -178.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -156.35 155.8 32.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.06 -0.518 . . . . 7.25 109.891 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.55 64.64 3.79 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.985 -0.626 . . . . 5.03 112.193 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -80.75 102.34 9.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.696 -0.483 . . . . 4.83 109.696 -178.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.669 ' HE1' ' CE2' ' A' ' 46' ' ' PHE . 70.3 t80 -89.7 -82.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.295 -0.411 . . . . 5.43 109.954 175.597 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.6 m 58.26 109.68 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.236 0.541 . . . . 3.35 111.494 -177.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -82.68 125.0 30.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.207 0.527 . . . . 3.21 111.074 -176.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.416 ' HA ' ' HB ' ' A' ' 32' ' ' THR . 1.5 t -56.0 134.61 52.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.256 -0.884 . . . . 0.57 111.112 176.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.11 -22.23 66.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.286 -0.87 . . . . 1.91 111.171 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -96.27 37.86 1.23 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.058 -0.519 . . . . 3.55 109.895 178.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' NH2' ' HB ' ' A' ' 13' ' ' VAL . 17.6 mmm-85 -122.85 -24.72 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.382 0.611 . . . . 2.25 110.812 174.208 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -79.54 132.77 36.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.304 -0.862 . . . . 3.34 110.345 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.481 ' HB3' HG12 ' A' ' 57' ' ' ILE . 42.8 t -55.03 107.68 0.33 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.71 110.596 177.116 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.65 -15.55 59.78 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.171 0.51 . . . . 1.8 110.743 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -139.95 73.34 1.42 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.719 -0.845 . . . . 3.96 108.719 -175.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' ' 54' ' ' CYS . 20.8 mt -71.28 77.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.765 -0.652 . . . . 2.51 110.635 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.9 m -74.4 0.81 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 3.96 111.43 -178.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.15 -35.37 31.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.554 -0.748 . . . . 6.43 109.636 175.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.51 HH12 ' NE2' ' A' ' 7' ' ' GLN . 28.0 ttp-105 -179.04 95.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.737 -0.665 . . . . 8.68 110.256 -178.088 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.253 1.257 0 CA-C-O 118.755 -0.641 . . . . 7.87 109.843 175.399 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.838 -0.505 . . . . 18.18 111.838 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.68 54.31 4.39 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.333 2.689 . . . . 17.81 112.255 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.9 tp -81.55 102.88 10.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.882 -0.599 . . . . 17.72 110.269 -179.258 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.2 -27.99 35.13 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.695 -0.764 . . . . 15.33 111.633 178.18 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.8 p 48.64 73.41 0.22 Allowed 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.542 0.737 . . . . 14.04 111.721 179.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 63.49 66.03 0.72 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.598 -0.728 . . . . 12.98 111.233 177.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.43 -21.84 61.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.921 -0.582 . . . . 11.34 110.436 178.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -115.03 93.3 4.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.469 0.652 . . . . 12.19 110.132 175.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.462 ' SD ' ' HA3' ' A' ' 14' ' ' GLY . 13.0 tpt -158.81 129.65 6.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.325 -0.852 . . . . 10.56 109.929 -176.446 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.642 ' HD2' ' CD1' ' A' ' 10' ' ' PHE . 89.2 m-85 -83.99 -160.13 0.43 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.674 -0.694 . . . . 7.17 110.399 -179.629 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -82.01 -44.93 16.01 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 121.005 -0.278 . . . . 9.87 110.663 -178.51 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -148.86 -16.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.521 -0.308 . . . . 9.6 111.805 179.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -90.73 10.66 2.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.317 0.579 . . . . 4.79 111.308 -178.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' HA3' ' SD ' ' A' ' 9' ' ' MET . . . -85.13 70.38 3.12 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.351 -0.928 . . . . 2.15 111.913 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -66.94 -33.81 76.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 1.86 110.754 -178.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.57 1.89 67.31 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.799 -0.637 . . . . 1.6 113.169 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -113.19 -37.25 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.146 0.424 . . . . 2.66 112.146 -175.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 p -77.48 158.86 29.75 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.688 -0.405 . . . . 1.39 110.861 -174.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.681 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -44.67 -58.27 3.15 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 124.151 0.907 . . . . 1.28 111.968 -177.171 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . . . -51.2 -41.01 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.991 0.737 . . . . 1.1 112.991 -177.37 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.1 m -73.12 -20.3 60.96 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.012 0.434 . . . . 0.66 111.127 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -89.21 -31.54 17.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 2.49 110.571 178.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.681 HG21 ' O ' ' A' ' 19' ' ' ALA . 19.5 t -76.64 144.25 11.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 1.19 110.46 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -108.34 -25.18 11.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.771 0.32 . . . . 1.86 111.772 -179.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 30.7 mt-10 -108.45 157.82 18.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.3 0.571 . . . . 1.88 111.391 -175.421 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.5 p-10 -69.96 142.63 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.662 -0.699 . . . . 1.08 110.172 175.348 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 p -64.58 -22.17 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.958 0.725 . . . . 0.99 112.958 -173.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.99 21.03 80.17 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 121.047 -0.597 . . . . 0.88 113.455 -177.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.07 15.25 4.22 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.377 0.88 . . . . 1.55 113.377 179.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.56 ' O ' HD11 ' A' ' 34' ' ' LEU . 14.3 m -109.76 141.51 42.28 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.858 -0.794 . . . . 0.95 108.858 174.129 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -50.08 -25.71 3.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.019 0.438 . . . . 2.17 110.682 173.046 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -57.64 3.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.81 -0.632 . . . . 1.56 111.868 177.319 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 26' ' ' ASP . 31.8 p -69.6 -14.69 62.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.897 -0.321 . . . . 1.18 111.723 -175.499 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD11 ' O ' ' A' ' 30' ' ' CYS . 7.5 mp -74.66 -12.06 60.34 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.687 -0.233 . . . . 1.74 111.519 175.317 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 95.2 mt -76.94 -28.38 55.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.599 -0.273 . . . . 1.72 110.468 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 49.26 66.32 1.14 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.087 0.47 . . . . 4.32 111.574 177.136 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.74 122.09 78.14 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.104 -0.498 . . . . 4.7 110.216 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.58 41.79 1.2 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.76 2.306 . . . . 4.78 112.303 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -139.23 159.15 42.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 7.8 110.17 -178.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -109.51 31.73 5.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.933 -0.576 . . . . 6.75 110.763 -177.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.6 t -83.26 108.74 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.684 -0.689 . . . . 7.66 110.221 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.29 -9.95 14.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.983 0.42 . . . . 7.81 110.86 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.0 m -82.56 117.83 22.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.624 -0.509 . . . . 7.25 109.624 177.414 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.81 -52.43 4.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.907 -0.663 . . . . 5.03 111.96 -176.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -87.17 84.19 7.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.141 0.496 . . . . 4.83 110.431 179.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -84.7 41.45 0.85 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.939 -0.573 . . . . 5.43 109.906 177.385 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.6 m -89.25 79.48 7.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.746 -0.661 . . . . 3.35 110.144 -177.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -137.94 160.04 40.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.696 -0.684 . . . . 3.21 110.62 -179.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 42.2 t -53.11 110.96 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.067 -0.969 . . . . 0.57 110.425 176.244 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -64.1 -12.54 40.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.067 0.46 . . . . 1.91 111.671 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -86.99 -1.73 58.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.041 -0.527 . . . . 3.55 111.005 178.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.551 ' NH1' HG12 ' A' ' 23' ' ' VAL . 11.4 mmp_? -103.22 0.8 32.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.594 0.711 . . . . 2.25 109.403 176.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' O ' HD23 ' A' ' 55' ' ' LEU . 69.4 mtp180 -80.16 126.81 31.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.873 -1.058 . . . . 3.34 108.255 170.422 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.8 t -44.68 116.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.184 0.928 . . . . 0.71 112.029 -174.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 3.7 mm? -75.22 -23.39 57.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.602 -0.726 . . . . 1.8 110.635 -179.019 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -129.03 67.23 1.42 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.778 -0.646 . . . . 3.96 109.467 -177.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.32 94.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.562 -0.744 . . . . 2.51 109.797 174.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -120.7 112.16 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.717 -0.674 . . . . 3.96 110.857 -178.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -137.86 113.88 9.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.415 -0.811 . . . . 6.43 109.1 175.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -111.77 125.77 54.35 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.237 0.542 . . . . 8.68 110.869 -178.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.636 -0.711 . . . . 7.87 109.487 -179.562 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.77 -0.532 . . . . 18.18 111.77 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.86 48.61 2.0 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 123.298 2.666 . . . . 17.81 112.716 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.4 tp -82.6 69.05 9.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.576 0.703 . . . . 17.72 109.618 178.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.59 -122.74 7.43 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.132 -0.787 . . . . 15.33 111.132 -175.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 57.07 59.29 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.228 0.537 . . . . 14.04 110.304 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -85.49 -36.11 20.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.178 -0.464 . . . . 12.98 110.055 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 65.63 -77.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.253 -0.885 . . . . 11.34 111.933 178.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -148.17 160.44 42.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.231 -0.44 . . . . 12.19 109.914 -174.694 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.9 mtm -154.27 150.61 28.2 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.227 -0.657 . . . . 10.56 109.227 178.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.656 ' HD1' ' CD2' ' A' ' 10' ' ' PHE . 22.4 m-85 -83.85 119.37 24.78 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.364 -0.38 . . . . 7.17 110.163 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -145.64 -52.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.095 -0.502 . . . . 9.87 110.462 -174.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -108.81 -25.06 10.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.789 0.328 . . . . 9.6 110.558 175.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -140.71 175.38 6.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 4.79 109.751 178.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.27 -154.84 24.6 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.219 -0.991 . . . . 2.15 113.254 178.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.485 ' C ' ' H ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -70.62 75.49 0.58 Allowed 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 123.822 0.849 . . . . 1.86 110.329 178.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.442 ' HA2' ' HB3' ' A' ' 21' ' ' CYS . . . -59.79 39.27 0.03 OUTLIER Glycine 0 CA--C 1.526 0.739 0 O-C-N 124.901 1.375 . . . . 1.6 115.352 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 15' ' ' CYS . 35.1 mt-10 -114.43 -17.99 11.62 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.708 -0.479 . . . . 2.66 109.708 170.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.7 m -81.48 152.52 27.3 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.389 -0.597 . . . . 1.39 109.389 176.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.74 -64.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.33 0.394 . . . . 1.28 111.757 -179.329 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.35 -34.9 72.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 1.1 111.907 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' HA2' ' A' ' 16' ' ' GLY . 61.7 m -73.81 -18.47 60.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.359 -0.382 . . . . 0.66 111.537 -179.382 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 78.6 mt-30 -83.28 -29.1 28.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.489 0.661 . . . . 2.49 109.486 174.467 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 19' ' ' ALA . 59.9 t -73.22 143.1 14.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 114.854 -1.066 . . . . 1.19 109.151 178.072 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.443 HG21 ' HG3' ' A' ' 25' ' ' GLU . 7.3 t -129.84 -9.56 4.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.995 0.426 . . . . 1.86 111.44 -177.072 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' HG3' HG21 ' A' ' 24' ' ' THR . 47.2 mt-10 -124.73 178.39 5.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.779 0.323 . . . . 1.88 110.433 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.66 111.81 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.071 -0.513 . . . . 1.08 110.005 175.184 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -60.99 -22.73 64.78 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.102 -0.499 . . . . 0.99 112.035 -177.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.92 12.26 84.59 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.953 -0.642 . . . . 0.88 112.976 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.48 8.9 10.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.701 0.63 . . . . 1.55 112.701 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.4 m -107.57 140.59 40.33 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.312 -0.995 . . . . 0.95 108.312 173.249 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -51.14 -30.42 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.139 0.495 . . . . 2.17 110.256 175.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -76.72 -54.74 6.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.581 -0.736 . . . . 1.56 111.479 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.8 p -72.32 -4.76 31.71 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.953 -0.299 . . . . 1.18 111.739 -175.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 mt -77.35 -1.92 32.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.823 0.344 . . . . 1.74 111.336 177.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 92.1 mt -76.32 -49.24 17.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.41 . . . . 1.72 110.088 177.309 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 50.68 51.53 16.74 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.307 0.575 . . . . 4.32 110.622 176.222 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HG ' ' HB3' ' A' ' 35' ' ' LEU . 32.2 mt -81.94 121.84 79.46 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 4.7 111.247 -172.463 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.79 -58.75 0.11 Allowed 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 123.001 2.467 . . . . 4.78 111.203 173.316 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -152.81 22.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.488 0.661 . . . . 7.8 109.404 176.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' HD11 ' A' ' 37' ' ' LEU . 17.2 t70 -91.55 109.41 20.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.581 -0.736 . . . . 6.75 110.005 -178.732 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 m -120.95 106.06 17.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 7.66 111.554 -178.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.96 -32.77 74.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.775 -0.648 . . . . 7.81 110.019 176.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.1 t -143.95 -47.14 0.27 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.442 -0.799 . . . . 7.25 109.301 175.186 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.19 169.4 36.75 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.348 -0.701 . . . . 5.03 111.348 178.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.57 94.41 6.38 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.469 -0.567 . . . . 4.83 109.469 179.019 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -152.46 92.6 1.7 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.351 0.596 . . . . 5.43 109.473 176.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.9 p -138.78 86.66 2.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.426 -0.806 . . . . 3.35 110.234 -175.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -89.53 112.61 23.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.483 0.659 . . . . 3.21 111.743 -175.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 33.8 t -54.58 123.89 14.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.982 -1.008 . . . . 0.57 109.894 171.452 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.98 -15.34 63.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.028 0.442 . . . . 1.91 110.866 -178.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.492 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -96.29 29.59 2.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.235 0.54 . . . . 3.55 109.866 176.525 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HE ' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -119.01 -45.51 2.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.502 -0.772 . . . . 2.25 110.078 173.537 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -77.14 140.5 40.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.47 -0.786 . . . . 3.34 109.924 176.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' ' 57' ' ' ILE . 11.9 t -51.84 150.13 4.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.31 -0.859 . . . . 0.71 111.958 -176.43 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.62 -63.53 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.514 -0.767 . . . . 1.8 110.605 -177.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -101.81 -3.72 27.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.005 0.431 . . . . 3.96 110.89 -178.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.496 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 69.2 mt 55.45 71.85 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 115.095 -0.957 . . . . 2.51 110.549 -175.009 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 m -82.76 78.04 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.629 0.728 . . . . 3.96 111.226 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -74.61 -17.6 60.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.461 -0.791 . . . . 6.43 109.885 177.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 67.55 35.45 4.15 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 114.491 -1.232 . . . . 8.68 110.765 179.049 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 C--O 1.254 1.309 0 CA-C-O 118.216 -0.897 . . . . 7.87 110.0 178.143 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.963 -0.455 . . . . 18.18 111.963 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.45 146.5 89.65 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.853 2.369 . . . . 17.81 112.093 177.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.47 32.59 20.57 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.866 -0.606 . . . . 17.72 110.389 -178.184 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.67 -32.45 4.79 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.835 -0.698 . . . . 15.33 112.39 -178.349 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -131.9 43.11 3.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.25 0.548 . . . . 14.04 110.351 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -97.0 107.38 19.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.706 -0.679 . . . . 12.98 109.695 177.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -69.82 122.28 18.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 11.34 109.972 -179.683 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 4.8 mmp_? -108.52 -174.74 2.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.142 -0.481 . . . . 12.19 110.491 -178.202 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.5 ttt -158.38 127.92 5.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.139 -0.482 . . . . 10.56 110.046 -178.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.654 ' HE1' ' CE2' ' A' ' 10' ' ' PHE . 99.2 m-85 -78.23 87.27 4.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.027 -0.533 . . . . 7.17 109.732 177.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -85.8 22.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.527 -0.76 . . . . 9.87 110.553 -178.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -143.39 -132.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.553 -0.906 . . . . 9.6 108.553 177.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.2 t 56.88 35.09 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 121.928 0.87 . . . . 4.79 110.38 176.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.08 -42.69 1.45 Allowed Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.477 -0.783 . . . . 2.15 112.228 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 9.0 p -172.39 -32.64 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.002 0.371 . . . . 1.86 112.002 179.381 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.02 -9.63 45.18 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 121.004 -0.617 . . . . 1.6 113.582 -178.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -105.16 -31.21 9.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.125 0.462 . . . . 2.66 111.939 -173.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 p -76.07 147.38 38.7 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.355 -0.538 . . . . 1.39 109.645 -177.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.59 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -45.53 -47.32 14.32 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.611 0.569 . . . . 1.28 111.235 -177.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.61 -35.66 61.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.651 -0.704 . . . . 1.1 112.682 -177.12 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.1 m -69.95 -29.78 66.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 0.66 111.297 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -96.55 -8.95 30.6 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.062 -0.517 . . . . 2.49 111.568 -177.174 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 19' ' ' ALA . 68.9 t -74.96 125.48 34.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.999 -0.371 . . . . 1.19 109.999 176.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -111.92 -14.19 13.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.934 0.397 . . . . 1.86 111.298 -178.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.54 153.78 24.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.198 -0.455 . . . . 1.88 110.649 -176.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -66.61 113.06 4.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.333 -0.988 . . . . 1.08 108.333 168.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 p -59.23 -23.27 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.735 -0.666 . . . . 0.99 112.654 -171.201 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.37 16.3 80.69 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.943 -0.646 . . . . 0.88 113.295 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.39 31.62 3.44 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.661 0.615 . . . . 1.55 112.661 178.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.548 ' O ' HD11 ' A' ' 34' ' ' LEU . 27.0 m -122.22 141.97 50.92 Favored 'General case' 0 CA--C 1.515 -0.365 0 N-CA-C 108.669 -0.863 . . . . 0.95 108.669 170.088 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 24.2 t -51.51 -24.3 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.02 0.438 . . . . 2.17 110.389 173.114 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -56.91 3.75 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.724 -0.671 . . . . 1.56 112.244 178.452 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 21.6 p -72.37 -6.03 40.52 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.935 0.346 . . . . 1.18 111.935 -175.704 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD11 ' O ' ' A' ' 30' ' ' CYS . 6.6 mp -79.44 -27.91 41.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.28 0.562 . . . . 1.74 110.028 171.091 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 31' ' ' SER . 71.3 mt -81.57 -47.89 12.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.715 -0.675 . . . . 1.72 110.404 179.507 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 58.84 94.46 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.437 0.637 . . . . 4.32 111.276 -179.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.1 mt -80.37 131.03 63.11 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.614 -0.721 . . . . 4.7 110.468 -177.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.75 142.82 40.31 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.532 2.155 . . . . 4.78 111.819 179.141 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.1 m80 62.12 35.98 15.43 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.383 0.611 . . . . 7.8 110.473 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 12.5 p-10 -76.83 -5.43 48.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.188 -0.914 . . . . 6.75 110.583 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.46 139.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.418 -0.81 . . . . 7.66 110.042 176.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 68.2 44.92 1.33 Allowed 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.704 0.627 . . . . 7.81 110.872 -178.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 t 60.81 54.22 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.358 -0.837 . . . . 7.25 111.27 177.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 45' ' ' LEU . . . -78.89 99.83 1.69 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.483 -0.865 . . . . 5.03 111.248 175.404 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 4.6 mm? 69.35 137.12 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.201 0.524 . . . . 4.83 110.884 -175.183 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -82.65 58.55 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.8 0.81 . . . . 5.43 110.035 176.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.9 m -146.3 98.34 3.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.792 -1.094 . . . . 3.35 109.063 179.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -142.6 171.96 13.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.394 -0.366 . . . . 3.21 110.564 -175.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 54.0 t -49.8 126.17 13.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.143 -0.48 . . . . 0.57 110.239 176.33 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 40.2 mt-10 -69.23 1.49 3.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 1.91 111.57 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.9 mmt-85 -104.4 15.41 28.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.073 0.463 . . . . 3.55 110.037 173.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.513 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -116.34 -17.36 10.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.446 0.641 . . . . 2.25 110.095 174.655 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 16.2 ptm180 -85.71 119.27 25.86 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.938 -1.028 . . . . 3.34 109.779 176.108 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 45.3 t -53.24 117.44 3.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.063 0.459 . . . . 0.71 110.993 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.33 -2.17 48.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 1.8 111.163 -178.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 29.5 mtp180 -144.46 69.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 3.96 109.508 178.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.0 mt -69.43 80.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.215 0.531 . . . . 2.51 110.423 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.84 -4.01 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.992 -0.549 . . . . 3.96 110.986 -178.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -93.64 -55.95 3.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.563 -0.744 . . . . 6.43 109.96 174.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -91.81 170.81 9.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.694 . . . . 8.68 110.174 -178.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.838 -0.601 . . . . 7.87 110.593 -179.213 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.791 -0.524 . . . . 18.18 111.791 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -80.99 50.74 3.67 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.767 2.311 . . . . 17.81 112.048 179.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 tp -69.97 110.83 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 17.72 110.302 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.16 -107.89 0.66 Allowed Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.737 -0.665 . . . . 15.33 111.855 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 m 69.5 -62.07 0.42 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.297 0.639 . . . . 14.04 111.357 -178.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -84.73 97.15 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 12.98 109.984 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -81.22 -11.22 59.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.766 -0.652 . . . . 11.34 110.442 -179.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -88.95 16.22 7.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.915 -0.584 . . . . 12.19 110.374 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.3 ttt -76.04 -41.47 50.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.592 -0.731 . . . . 10.56 109.199 175.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.462 ' HA ' ' H ' ' A' ' 14' ' ' GLY . 90.2 m-85 -87.68 73.24 9.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.38 -0.827 . . . . 7.17 110.664 179.097 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -82.92 -29.92 28.8 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.066 -0.716 . . . . 9.87 109.066 176.263 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -146.85 50.81 1.11 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.844 -1.071 . . . . 9.6 108.493 175.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG13 HG21 ' A' ' 57' ' ' ILE . 19.9 t 59.93 53.27 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 114.574 -1.194 . . . . 4.79 110.5 -176.229 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' H ' ' HA ' ' A' ' 10' ' ' PHE . . . -76.91 76.83 1.55 Allowed Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.541 -0.754 . . . . 2.15 112.279 178.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.58 -18.47 62.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.067 0.395 . . . . 1.86 112.067 178.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.49 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 78.49 -5.26 56.96 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.993 -0.623 . . . . 1.6 113.692 -177.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -109.75 -31.05 7.59 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 117.398 0.599 . . . . 2.66 112.314 -175.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.2 m -75.66 157.66 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.337 -0.616 . . . . 1.39 109.337 -179.831 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' O ' HG21 ' A' ' 23' ' ' VAL . . . -44.87 -65.82 0.48 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.293 0.371 . . . . 1.28 111.846 -179.227 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.24 68.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.156 0.503 . . . . 1.1 111.761 178.094 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 49.2 m -77.09 -17.78 58.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.162 -0.472 . . . . 0.66 111.895 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 77.4 mt-30 -87.58 -23.9 24.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.303 0.573 . . . . 2.49 109.606 174.613 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 19' ' ' ALA . 89.2 t -71.2 139.93 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.082 -0.963 . . . . 1.19 109.5 177.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 p -108.75 -34.97 6.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.138 0.422 . . . . 1.86 112.138 -174.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -116.79 172.76 7.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.675 -0.239 . . . . 1.88 110.403 -177.352 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.512 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 1.7 p30 -68.32 134.31 50.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.307 0.575 . . . . 1.08 109.876 177.659 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 p -63.63 -24.6 67.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.479 -0.782 . . . . 0.99 112.771 -174.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.1 20.22 77.73 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 120.9 -0.667 . . . . 0.88 113.318 -177.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.33 7.69 4.59 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.427 0.899 . . . . 1.55 113.427 179.337 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.554 ' O ' HD11 ' A' ' 34' ' ' LEU . 12.5 m -103.77 132.56 49.91 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.048 -1.093 . . . . 0.95 108.048 174.658 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -51.68 -22.95 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.301 0.572 . . . . 2.17 110.619 174.174 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -78.0 -52.46 8.76 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.351 -0.84 . . . . 1.56 111.407 175.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 26' ' ' ASP . 20.6 p -73.52 -12.54 60.81 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.256 0.465 . . . . 1.18 112.256 -176.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.554 HD11 ' O ' ' A' ' 30' ' ' CYS . 8.3 mp -75.86 -7.23 54.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 1.74 110.93 175.795 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.8 mt -79.26 -55.4 5.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.369 -0.378 . . . . 1.72 110.191 177.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 53.66 68.85 0.78 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.171 0.51 . . . . 4.32 110.997 -178.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.22 153.87 74.49 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.593 -0.73 . . . . 4.7 110.246 -176.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.0 94.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.314 2.676 . . . . 4.78 113.093 -176.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.2 m80 65.59 83.14 0.17 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.471 -0.786 . . . . 7.8 111.414 178.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.651 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 15.4 t70 -66.68 126.05 27.74 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.296 -0.631 . . . . 6.75 109.296 175.212 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.85 177.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.681 0.277 . . . . 7.66 111.631 -175.597 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.44 -34.03 17.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 7.81 111.163 -178.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.2 p -65.08 -64.8 0.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.006 -0.543 . . . . 7.25 110.812 -178.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.12 -159.67 11.55 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.916 -0.659 . . . . 5.03 111.559 176.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 68.5 147.61 0.06 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.639 0.733 . . . . 4.83 111.595 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -151.08 69.07 0.95 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.511 0.672 . . . . 5.43 110.389 178.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 40' ' ' ASP . 21.0 p -116.55 32.84 5.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.51 -0.922 . . . . 3.35 108.51 170.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -84.37 117.14 23.42 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.284 -1.325 . . . . 3.21 111.281 -172.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.489 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 49.9 t -53.49 122.38 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.805 . . . . 0.57 110.864 176.069 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 40.6 mt-10 -65.27 -19.88 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.86 -0.609 . . . . 1.91 111.092 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.33 22.39 5.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.149 0.499 . . . . 3.55 110.247 176.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HE ' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -123.44 -15.56 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 2.25 110.661 174.433 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.0 ptp180 -83.78 136.69 34.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.562 -0.745 . . . . 3.34 109.726 178.649 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.51 120.23 5.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 0.71 111.284 178.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.1 mt -78.43 -22.29 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.585 -0.734 . . . . 1.8 110.782 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -147.39 77.79 1.45 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.337 -0.616 . . . . 3.96 109.337 -173.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.536 HG21 HG13 ' A' ' 13' ' ' VAL . 59.9 mt -59.51 97.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.818 -0.628 . . . . 2.51 110.884 179.116 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.6 m -113.18 168.29 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.789 -0.641 . . . . 3.96 110.68 -179.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 49.79 61.75 3.0 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 124.068 0.855 . . . . 6.43 110.918 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -86.75 154.45 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.67 -0.695 . . . . 8.68 110.719 -175.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.613 -0.708 . . . . 7.87 109.666 176.818 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.537 ' N ' ' HG ' ' A' ' 21' ' ' CYS . 25.8 p . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 111.785 0.291 . . . . 1.8100000000000001 111.785 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 4.16 90.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.048 -0.596 . . . . 1.3600000000000001 112.191 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -113.27 -53.67 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.74 0.274 . . . . 2.6600000000000001 111.74 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 p -79.3 154.41 29.13 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.911 -0.315 . . . . 1.26 111.609 -170.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.42 -53.32 8.88 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.811 0.694 . . . . 0.73999999999999999 112.567 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.39 58.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.899 0.704 . . . . 0.37 112.899 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.537 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 91.3 m -77.92 -11.23 59.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.751 0.31 . . . . 0.64000000000000001 111.494 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -87.11 -31.95 20.17 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.956 -0.757 . . . . 2.02 108.956 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 19' ' ' ALA . 47.8 t -73.52 139.45 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.806 -1.088 . . . . 0.84999999999999998 109.727 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.2 p -115.95 -31.2 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.86 -0.336 . . . . 1.46 111.819 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -114.89 -177.55 3.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.073 0.463 . . . . 1.8799999999999999 110.716 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.516 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.3 p-10 -66.76 120.6 13.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.207 0.527 . . . . 1.0800000000000001 109.977 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 p -61.16 -23.2 65.38 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.764 -0.653 . . . . 0.98999999999999999 111.779 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.11 12.49 82.37 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.087 -0.577 . . . . 0.88 113.61 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.47 25.05 4.11 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.462 0.912 . . . . 1.05 113.462 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.594 ' O ' HD13 ' A' ' 34' ' ' LEU . 39.2 m -109.04 144.19 37.37 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.916 -0.772 . . . . 0.78000000000000003 108.916 172.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -48.47 -34.32 10.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.182 0.515 . . . . 1.6399999999999999 110.183 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -79.71 -51.14 9.59 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.436 -0.802 . . . . 1.0700000000000001 112.23 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.617 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 14.7 p -74.39 -0.69 18.08 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.87 -0.519 . . . . 0.69999999999999996 112.377 -174.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.8 mp -79.65 -21.73 44.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.384 -0.598 . . . . 1.1399999999999999 109.384 167.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 115.513 -0.767 . . . . 1.4099999999999999 111.299 179.348 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.2 mttp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.991 0.424 . . . . 2.7599999999999998 111.047 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.617 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.3 t -53.11 119.27 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.246 -0.888 . . . . 0.56999999999999995 111.271 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.96 3.44 10.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.467 -0.788 . . . . 1.9099999999999999 111.021 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 1.3 mmp_? -98.79 22.25 10.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.49 0.662 . . . . 3.1000000000000001 109.37 171.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.496 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -107.94 -14.06 14.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.047 0.927 . . . . 1.79 108.647 169.257 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -89.06 122.71 32.66 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.997 -1.456 . . . . 2.8999999999999999 109.719 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.423 ' HB3' HG12 ' A' ' 57' ' ' ILE . 21.1 t -50.77 129.81 23.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.676 . . . . 0.68999999999999995 111.807 -177.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.89 -19.21 60.24 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.13 -0.487 . . . . 1.28 110.806 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -138.14 67.5 1.41 Allowed 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.144 -1.058 . . . . 3.3799999999999999 108.144 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.427 ' H ' HG13 ' A' ' 57' ' ' ILE . 27.9 mt . . . . . 0 C--O 1.236 0.38 0 O-C-N 124.082 0.864 . . . . 2.0299999999999998 111.521 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.624 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 23.7 p . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 112.234 0.457 . . . . 1.8100000000000001 112.234 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.1 2.88 90.68 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.851 -0.69 . . . . 1.3600000000000001 112.591 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -114.6 -40.14 3.64 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.055 0.391 . . . . 2.6600000000000001 112.055 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -73.97 160.09 31.83 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.762 -0.199 . . . . 1.26 111.274 -172.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.25 -54.56 6.87 Favored 'General case' 0 C--N 1.333 -0.131 0 O-C-N 123.878 0.736 . . . . 0.73999999999999999 111.582 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.07 -34.22 42.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.37 112.401 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.7 m -73.49 -28.1 61.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.716 0.293 . . . . 0.64000000000000001 111.446 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -87.87 -22.57 24.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.249 -0.432 . . . . 2.02 110.316 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 19' ' ' ALA . 61.4 t -72.35 134.65 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.905 -0.589 . . . . 0.84999999999999998 110.141 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 p -107.85 -35.44 6.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.836 0.31 . . . . 1.46 111.836 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -125.42 -178.9 4.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.752 0.31 . . . . 1.8799999999999999 110.715 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -61.78 118.69 7.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.301 0.572 . . . . 1.0800000000000001 110.257 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -62.34 -24.78 67.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.446 -0.797 . . . . 0.98999999999999999 112.464 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 80.91 12.49 82.61 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.923 -0.656 . . . . 0.88 113.61 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.93 12.25 7.22 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.641 0.978 . . . . 1.05 113.641 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.617 ' O ' HD13 ' A' ' 34' ' ' LEU . 13.8 m -108.75 133.9 52.19 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.342 -0.984 . . . . 0.78000000000000003 108.342 173.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 m -51.3 -23.57 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 1.6399999999999999 110.699 174.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.8 m -79.36 -55.2 5.24 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.702 -0.681 . . . . 1.0700000000000001 111.749 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 20.7 p -70.55 -8.47 51.65 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.969 0.414 . . . . 0.69999999999999996 111.511 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.1 mp -78.58 -18.11 55.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 1.1399999999999999 110.728 172.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.464 -0.335 . . . . 1.4099999999999999 110.342 -179.244 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.926 0.393 . . . . 2.7599999999999998 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.3 t -52.94 130.97 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.587 -0.733 . . . . 0.56999999999999995 111.109 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.76 -15.47 53.53 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.815 -0.629 . . . . 1.9099999999999999 111.51 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.538 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -97.0 34.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.439 0.638 . . . . 3.1000000000000001 110.379 177.768 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.661 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -120.55 -30.37 4.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.639 -0.709 . . . . 1.79 109.667 172.242 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -82.87 115.5 21.78 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.899 -1.046 . . . . 2.8999999999999999 109.793 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.624 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 53.2 t -52.62 128.59 26.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.528 -0.76 . . . . 0.68999999999999995 111.421 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD11 ' NH2' ' A' ' 51' ' ' ARG . 3.0 mm? -79.73 -5.19 54.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.164 -0.471 . . . . 1.28 110.963 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 27.1 mtp180 -142.92 67.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.028 -0.533 . . . . 3.3799999999999999 110.214 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 121.157 0.504 . . . . 2.0299999999999998 110.13 179.012 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 14.9 p . . . . . 0 CA--C 1.533 0.307 0 CA-C-O 120.759 0.314 . . . . 1.8100000000000001 111.37 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.45 -6.96 74.74 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.231 -0.509 . . . . 1.3600000000000001 113.411 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -113.75 -30.25 6.83 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.053 0.76 . . . . 2.6600000000000001 113.053 -173.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -75.46 166.04 24.19 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.814 -0.355 . . . . 1.26 111.245 -173.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -47.38 -60.45 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.864 0.728 . . . . 0.73999999999999999 111.624 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.84 -33.45 23.81 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.78 0.659 . . . . 0.37 112.78 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.6 m -69.49 -31.68 70.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.64000000000000001 111.268 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -89.62 -17.26 28.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.289 -0.414 . . . . 2.02 110.938 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' ALA . 60.4 t -74.75 128.59 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.514 -0.312 . . . . 0.84999999999999998 110.229 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 p -121.31 -12.61 8.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.224 0.535 . . . . 1.46 110.757 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -120.78 176.95 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 1.8799999999999999 110.48 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.1 p-10 -67.57 110.25 3.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.055 -0.52 . . . . 1.0800000000000001 109.644 171.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 p -59.12 -28.57 66.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.646 -0.706 . . . . 0.98999999999999999 111.977 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.61 13.06 65.8 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.817 -0.706 . . . . 0.88 113.205 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.67 18.5 6.8 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.195 0.813 . . . . 1.05 113.195 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.567 ' O ' HD13 ' A' ' 34' ' ' LEU . 4.6 m -123.27 133.31 54.19 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.729 -0.841 . . . . 0.78000000000000003 108.729 173.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 t -52.57 -19.58 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.049 0.452 . . . . 1.6399999999999999 110.982 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.86 -58.14 3.45 Favored 'General case' 0 N--CA 1.433 -1.306 0 C-N-CA 123.124 0.57 . . . . 1.0700000000000001 111.232 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.4 p -69.59 -15.32 63.19 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.66 0.267 . . . . 0.69999999999999996 111.397 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.1 mp -75.04 -11.02 60.01 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.477 -0.329 . . . . 1.1399999999999999 111.209 176.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.347 . . . . 1.4099999999999999 110.143 178.732 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 mttt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 110.044 -0.354 . . . . 2.7599999999999998 110.044 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.565 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 46.1 t -45.82 119.19 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.51 0.506 . . . . 0.56999999999999995 111.381 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 41.9 mt-10 -66.28 -20.24 66.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.942 -0.572 . . . . 1.9099999999999999 111.668 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -90.94 35.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.294 0.568 . . . . 3.1000000000000001 110.282 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 mmm-85 -110.15 -30.77 7.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.594 -0.73 . . . . 1.79 109.805 172.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 53' ' ' ARG . 17.5 ptt-85 -81.23 127.11 32.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.164 -0.925 . . . . 2.8999999999999999 109.859 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.571 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 48.5 t -53.43 127.31 24.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.912 -0.586 . . . . 0.68999999999999995 111.236 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.34 -20.12 59.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 1.28 110.569 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -110.38 3.01 19.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.251 -0.431 . . . . 3.3799999999999999 110.285 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.435 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 5.8 mt . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 114.868 -1.06 . . . . 2.0299999999999998 111.639 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 121.008 0.432 . . . . 1.8100000000000001 111.495 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.506 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 72.49 -0.62 41.01 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.932 -0.577 . . . . 1.3600000000000001 113.732 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -108.68 -25.39 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.144 0.472 . . . . 2.6600000000000001 112.067 -176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.5 m -77.91 157.6 29.73 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.653 -0.499 . . . . 1.26 109.653 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -46.29 -62.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.676 0.274 . . . . 0.73999999999999999 111.455 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.43 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.37 111.916 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 53.2 m -75.86 -15.65 60.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.747 0.308 . . . . 0.64000000000000001 111.666 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 48.2 mt-30 -90.29 -17.26 27.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.492 0.663 . . . . 2.02 109.808 172.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 19' ' ' ALA . 60.1 t -77.35 136.28 24.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.308 -0.86 . . . . 0.84999999999999998 109.013 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.443 HG23 ' HG3' ' A' ' 25' ' ' GLU . 9.8 t -132.63 -15.51 2.73 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.716 -0.394 . . . . 1.46 111.847 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.443 ' HG3' HG23 ' A' ' 24' ' ' THR . 49.7 mt-10 -132.22 178.33 6.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.772 0.32 . . . . 1.8799999999999999 110.643 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -66.42 109.33 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.838 0.828 . . . . 1.0800000000000001 110.124 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -26.18 68.67 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.972 -1.013 . . . . 0.98999999999999999 112.212 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.68 9.93 84.95 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.868 -0.682 . . . . 0.88 113.836 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.58 34.9 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.476 0.638 . . . . 1.05 111.828 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' O ' HD13 ' A' ' 34' ' ' LEU . 2.7 m -132.81 152.74 51.75 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 119.376 -0.345 . . . . 0.78000000000000003 110.283 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 t -48.71 -49.36 38.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 1.6399999999999999 111.045 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -76.12 -34.89 59.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.981 0.42 . . . . 1.0700000000000001 111.291 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -64.76 -31.76 73.13 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.895 0.379 . . . . 0.69999999999999996 110.857 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.1 mp -78.14 0.54 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 1.1399999999999999 111.929 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 110.2 -0.296 . . . . 1.4099999999999999 110.2 178.068 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp . . . . . 0 C--O 1.233 0.237 0 N-CA-C 109.194 -0.669 . . . . 2.7599999999999998 109.194 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t -52.74 135.31 35.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.56999999999999995 111.556 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' C ' ' HE ' ' A' ' 51' ' ' ARG . 20.0 mm-40 -63.88 -17.67 63.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.085 -0.961 . . . . 1.9099999999999999 111.625 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HE ' ' C ' ' A' ' 50' ' ' GLU . 2.3 mmp_? -100.09 16.44 24.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.1 0.476 . . . . 3.1000000000000001 110.639 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 52' ' ' ARG . 1.7 mmp_? -116.83 25.23 10.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.588 0.709 . . . . 1.79 109.521 174.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -148.76 131.54 16.02 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.948 -1.024 . . . . 2.8999999999999999 109.295 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.4 t -53.69 145.84 14.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.804 -0.634 . . . . 0.68999999999999995 111.78 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.1 mm? -80.86 -4.83 56.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.376 -0.829 . . . . 1.28 110.07 -178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -125.3 -47.87 1.73 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.999 -0.546 . . . . 3.3799999999999999 110.532 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 2.0299999999999998 110.872 -178.681 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.646 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 21.3 p . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 113.12 0.785 . . . . 1.8100000000000001 113.12 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.54 -5.08 85.59 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.869 -0.681 . . . . 1.3600000000000001 113.249 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -110.49 -34.59 6.27 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.548 0.573 . . . . 2.6600000000000001 112.548 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -76.59 166.76 22.94 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 111.812 0.301 . . . . 1.26 111.812 -172.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -48.28 -55.53 10.35 Favored 'General case' 0 C--O 1.225 -0.228 0 O-C-N 123.718 0.636 . . . . 0.73999999999999999 111.692 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -54.12 -30.34 48.4 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.465 0.542 . . . . 0.37 112.465 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.2 m -77.26 -26.5 52.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.329 -0.396 . . . . 0.64000000000000001 111.517 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -86.78 -29.48 22.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.147 -0.478 . . . . 2.02 110.169 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 19' ' ' ALA . 49.6 t -72.3 134.53 29.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.114 -0.698 . . . . 0.84999999999999998 109.114 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.2 p -108.2 -32.06 7.65 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.936 0.347 . . . . 1.46 111.936 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -127.19 -168.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.208 0.528 . . . . 1.8799999999999999 111.101 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.84 117.96 6.56 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.402 -0.817 . . . . 1.0800000000000001 110.289 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 p -61.9 -26.07 67.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.627 -0.715 . . . . 0.98999999999999999 112.007 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.424 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 85.18 12.75 72.88 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.872 -0.68 . . . . 0.88 113.118 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.84 6.24 6.66 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.577 0.955 . . . . 1.05 113.577 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.637 ' O ' HD13 ' A' ' 34' ' ' LEU . 21.0 m -103.86 138.03 41.02 Favored 'General case' 0 CA--C 1.515 -0.393 0 O-C-N 121.499 -0.751 . . . . 0.78000000000000003 109.408 175.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 t -51.75 -26.81 10.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.388 0.613 . . . . 1.6399999999999999 110.0 172.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -80.19 -55.06 5.19 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.36 -0.836 . . . . 1.0700000000000001 112.183 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.573 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 25.8 p -70.06 -9.51 55.62 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.924 -0.485 . . . . 0.69999999999999996 112.006 -175.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.7 mp -79.21 -7.98 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.932 0.345 . . . . 1.1399999999999999 111.932 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.821 0.343 . . . . 1.4099999999999999 111.183 -178.694 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.921 0.391 . . . . 2.7599999999999998 110.337 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.573 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.4 t -54.48 122.78 11.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.524 -0.762 . . . . 0.56999999999999995 110.071 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 21.2 mt-10 -64.92 -20.09 66.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.371 -0.831 . . . . 1.9099999999999999 111.628 -174.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 23.4 mmt180 -102.8 35.69 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.36 0.6 . . . . 3.1000000000000001 110.681 173.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -112.4 -29.18 7.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.553 -0.749 . . . . 1.79 109.732 168.183 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -81.05 122.27 27.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.217 -0.901 . . . . 2.8999999999999999 109.46 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.646 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 48.0 t -53.14 132.32 38.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.085 -0.961 . . . . 0.68999999999999995 112.092 -176.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.9 mm? -78.05 -4.04 45.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.88 -0.6 . . . . 1.28 110.418 176.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -141.13 58.43 1.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.47 -0.787 . . . . 3.3799999999999999 109.862 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--N 1.331 -0.236 0 N-CA-C 109.707 -0.479 . . . . 2.0299999999999998 109.707 -178.461 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 CA--C 1.531 0.229 0 CA-C-O 120.749 0.309 . . . . 1.8100000000000001 111.522 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.52 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 79.89 -5.56 61.7 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.151 -0.547 . . . . 1.3600000000000001 112.46 -176.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -103.6 -46.38 4.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.741 0.305 . . . . 2.6600000000000001 111.105 -177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.64 152.43 40.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.44 -0.345 . . . . 1.26 110.291 -175.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.63 -63.88 0.86 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.644 0.59 . . . . 0.73999999999999999 111.789 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -25.93 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.103 0.478 . . . . 0.37 112.053 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.52 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 73.8 m -81.44 -9.87 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.275 -0.421 . . . . 0.64000000000000001 111.909 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -87.99 -28.84 21.17 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.604 -0.888 . . . . 2.02 108.604 170.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 19' ' ' ALA . 26.1 t -77.1 143.91 12.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.165 -1.38 . . . . 0.84999999999999998 110.153 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.7 m -127.66 -23.88 3.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.021 0.439 . . . . 1.46 110.887 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -120.01 -177.94 3.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.924 0.393 . . . . 1.8799999999999999 110.516 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.474 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.1 p30 -64.59 117.2 7.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.248 0.547 . . . . 1.0800000000000001 110.182 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 p -59.96 -26.24 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.574 -0.739 . . . . 0.98999999999999999 112.338 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.507 ' O ' HD21 ' A' ' 34' ' ' LEU . . . 82.88 15.45 72.75 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.873 -0.68 . . . . 0.88 112.993 -178.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.09 -3.34 8.55 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.823 0.675 . . . . 1.05 112.823 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.516 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 10.8 m -96.69 134.82 39.46 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.379 -0.971 . . . . 0.78000000000000003 108.379 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -50.82 -27.3 7.04 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.544 0.527 . . . . 1.6399999999999999 110.46 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -78.39 -53.75 6.93 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.382 -0.827 . . . . 1.0700000000000001 111.749 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.545 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.5 p -70.42 -13.88 62.32 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.912 -0.493 . . . . 0.69999999999999996 111.463 -176.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 28' ' ' GLY . 88.5 mt -76.75 -11.06 59.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.897 0.379 . . . . 1.1399999999999999 111.259 175.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.592 -0.276 . . . . 1.4099999999999999 110.56 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.839 0.352 . . . . 2.7599999999999998 110.334 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 34.8 t -55.79 123.75 15.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.918 -0.583 . . . . 0.56999999999999995 110.055 171.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 5.5 mm-40 -64.15 -15.18 59.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.007 -0.542 . . . . 1.9099999999999999 111.187 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -94.86 37.33 1.15 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.26 0.553 . . . . 3.1000000000000001 110.53 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.445 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -122.7 -9.44 8.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.537 -0.756 . . . . 1.79 110.682 173.554 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 16.9 ptm180 -87.11 120.31 28.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.6 -0.727 . . . . 2.8999999999999999 110.531 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.478 ' SG ' HG12 ' A' ' 57' ' ' ILE . 42.9 t -53.08 125.39 17.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.823 -0.626 . . . . 0.68999999999999995 111.723 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.7 mm? -80.37 -25.25 39.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 1.28 111.113 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -144.64 79.58 1.61 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.93 -0.767 . . . . 3.3799999999999999 108.93 -172.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.478 HG12 ' SG ' ' A' ' 54' ' ' CYS . 15.4 mt . . . . . 0 C--N 1.317 -0.845 0 CA-C-O 121.603 0.716 . . . . 2.0299999999999998 111.033 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 21.3 p . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 112.718 0.636 . . . . 1.8100000000000001 112.718 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.81 3.2 72.93 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.836 -0.697 . . . . 1.3600000000000001 113.129 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.5 -35.03 4.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.325 0.491 . . . . 2.6600000000000001 112.325 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 p -77.94 157.68 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.555 -0.458 . . . . 1.26 110.871 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.87 -53.32 7.68 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.751 0.657 . . . . 0.73999999999999999 112.088 -177.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -53.35 -32.42 49.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.595 0.591 . . . . 0.37 112.595 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.0 m -75.18 -23.65 57.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.765 0.317 . . . . 0.64000000000000001 111.557 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -85.85 -26.28 25.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.411 0.624 . . . . 2.02 109.564 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 19' ' ' ALA . 38.9 t -78.26 149.46 5.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.001 -0.999 . . . . 0.84999999999999998 109.457 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -130.25 -30.12 1.97 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.742 -0.383 . . . . 1.46 111.53 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -117.89 -168.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.006 -0.368 . . . . 1.8799999999999999 110.006 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.41 109.03 0.9 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.197 -0.668 . . . . 1.0800000000000001 109.197 172.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.9 p -58.21 -28.45 64.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.561 -0.745 . . . . 0.98999999999999999 112.422 -175.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 83.35 22.18 57.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.88 112.905 -177.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.2 -6.25 4.86 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.377 0.88 . . . . 1.05 113.377 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.59 ' O ' HD13 ' A' ' 34' ' ' LEU . 8.3 m -98.86 134.55 41.57 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.853 -0.795 . . . . 0.78000000000000003 108.853 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 p -49.36 -29.27 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.469 0.481 . . . . 1.6399999999999999 111.174 176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m -78.94 -50.62 10.87 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.967 -0.56 . . . . 1.0700000000000001 111.999 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.5 p -70.44 -14.14 62.42 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.658 -0.651 . . . . 0.69999999999999996 111.028 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.3 mp -78.07 -11.2 59.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.228 -0.442 . . . . 1.1399999999999999 111.387 174.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 110.4 -0.222 . . . . 1.4099999999999999 110.4 -178.502 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mttp . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.884 0.373 . . . . 2.7599999999999998 111.256 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 30.6 t -55.33 114.32 1.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.899 -0.778 . . . . 0.56999999999999995 108.899 167.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.05 -24.07 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 1.9099999999999999 111.354 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 21.8 mmt180 -90.22 28.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.321 0.581 . . . . 3.1000000000000001 110.472 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.493 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -116.95 -10.64 10.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.833 0.825 . . . . 1.79 109.371 168.295 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -92.1 109.94 21.31 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.426 -1.261 . . . . 2.8999999999999999 109.53 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.486 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 53.6 t -50.59 120.24 4.52 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.367 0.417 . . . . 0.68999999999999995 111.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.93 -3.21 43.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 1.28 110.858 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 95.6 mtt180 -138.67 64.07 1.5 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.766 -0.457 . . . . 3.3799999999999999 109.766 -176.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.907 -0.588 . . . . 2.0299999999999998 110.283 -178.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.5 p . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.904 0.383 . . . . 1.8100000000000001 111.359 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.85 -6.7 54.24 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.892 -0.671 . . . . 1.3600000000000001 113.159 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -108.17 -34.23 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.175 0.435 . . . . 2.6600000000000001 112.175 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 p -77.66 157.83 30.0 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.528 -0.469 . . . . 1.26 110.532 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.56 -57.94 3.31 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.123 0.889 . . . . 0.73999999999999999 112.554 -176.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.11 -32.35 54.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.966 0.728 . . . . 0.37 112.966 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 m -72.69 -23.15 60.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.64000000000000001 111.237 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -86.67 -25.9 24.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.2 0.524 . . . . 2.02 110.018 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 19' ' ' ALA . 21.8 t -75.23 122.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.49 -0.777 . . . . 0.84999999999999998 109.542 176.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -98.79 -26.42 14.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.861 0.362 . . . . 1.46 111.629 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -126.05 -172.08 2.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.066 0.46 . . . . 1.8799999999999999 110.409 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -63.84 116.38 5.73 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.91 -0.774 . . . . 1.0800000000000001 108.91 170.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 p -58.89 -26.47 64.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.028 0.751 . . . . 0.98999999999999999 113.028 -171.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.425 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 80.39 19.25 69.39 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.804 -0.712 . . . . 0.88 112.832 -178.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.63 3.14 5.0 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.206 0.817 . . . . 1.05 113.206 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.63 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 20.4 m -100.28 134.32 43.38 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.558 -0.904 . . . . 0.78000000000000003 108.558 176.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 t -52.94 -22.58 5.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.143 0.497 . . . . 1.6399999999999999 109.815 172.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.3 m -79.48 -55.91 4.7 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.489 -0.778 . . . . 1.0700000000000001 111.983 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.63 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 28.3 p -70.02 -13.03 62.04 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.901 -0.5 . . . . 0.69999999999999996 111.848 -175.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 30' ' ' CYS . 9.1 mp -80.23 -3.79 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.626 -0.261 . . . . 1.1399999999999999 111.399 175.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 110.194 -0.299 . . . . 1.4099999999999999 110.194 179.421 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.655 0.264 . . . . 2.7599999999999998 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.512 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 44.3 t -52.52 121.24 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.56999999999999995 109.965 172.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.95 0.04 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.977 -0.556 . . . . 1.9099999999999999 111.749 -176.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -102.75 34.1 2.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.919 0.39 . . . . 3.1000000000000001 110.117 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.531 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -120.57 -19.97 7.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.557 0.694 . . . . 1.79 110.565 175.309 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -81.03 117.7 21.86 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.886 -1.052 . . . . 2.8999999999999999 110.167 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.5 t -52.22 121.13 6.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.68 -0.691 . . . . 0.68999999999999995 110.95 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -78.71 -2.98 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.209 0.528 . . . . 1.28 110.539 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -139.08 64.15 1.48 Allowed 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.517 -0.92 . . . . 3.3799999999999999 108.517 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.1 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 121.492 0.663 . . . . 2.0299999999999998 112.247 -172.208 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 112.193 0.442 . . . . 1.8100000000000001 112.193 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.38 -10.68 63.26 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.746 -0.74 . . . . 1.3600000000000001 112.949 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -105.67 -32.91 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.608 0.595 . . . . 2.6600000000000001 112.608 -173.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' SG ' HD23 ' A' ' 55' ' ' LEU . 12.2 p -80.08 165.51 22.44 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.61 -0.436 . . . . 1.26 110.998 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.96 -67.51 0.27 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.948 0.78 . . . . 0.73999999999999999 112.773 -176.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.38 -29.14 33.08 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.653 0.612 . . . . 0.37 112.653 -176.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 m -73.22 -32.46 64.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.686 0.254 . . . . 0.64000000000000001 111.686 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -86.84 0.88 54.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.171 0.51 . . . . 2.02 111.161 -176.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 19' ' ' ALA . 31.7 t -80.76 160.73 3.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.606 -0.725 . . . . 0.84999999999999998 109.69 176.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.3 m -124.74 -45.39 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.816 0.341 . . . . 1.46 111.374 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -106.55 170.86 7.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.322 -0.399 . . . . 1.8799999999999999 110.716 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.57 134.79 50.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.333 -0.618 . . . . 1.0800000000000001 109.333 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 p -64.81 -24.4 67.54 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.568 0.581 . . . . 0.98999999999999999 112.568 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.08 18.51 79.37 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 121.141 -0.552 . . . . 0.88 113.604 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.0 19.61 3.78 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.754 1.02 . . . . 1.05 113.754 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.56 ' O ' HD13 ' A' ' 34' ' ' LEU . 22.5 m -111.05 150.86 28.74 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.661 -0.65 . . . . 0.78000000000000003 109.421 174.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -52.09 -32.29 34.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.461 0.648 . . . . 1.6399999999999999 110.155 171.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.27 -56.24 4.82 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.289 -0.868 . . . . 1.0700000000000001 112.342 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.8 p -69.3 -12.55 61.76 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.676 -0.409 . . . . 0.69999999999999996 111.809 -176.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.3 mp -79.35 -4.56 51.5 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.9 0.333 . . . . 1.1399999999999999 111.9 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 110.236 -0.283 . . . . 1.4099999999999999 110.236 178.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 mttp . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.568 0.223 . . . . 2.7599999999999998 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 42.2 t -47.07 124.86 6.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.812 -0.631 . . . . 0.56999999999999995 110.814 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.6 -17.8 64.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.9099999999999999 111.267 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -87.62 27.23 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.472 0.654 . . . . 3.1000000000000001 110.176 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -115.44 -13.78 11.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.419 -0.81 . . . . 1.79 109.209 172.806 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -90.82 126.04 35.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.339 -0.846 . . . . 2.8999999999999999 109.848 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.496 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 45.8 t -50.84 138.3 19.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.135 -0.484 . . . . 0.68999999999999995 110.056 174.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD23 ' SG ' ' A' ' 18' ' ' CYS . 3.6 mm? -72.24 -30.26 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 1.28 111.164 -173.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -104.04 -3.93 23.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.951 0.405 . . . . 3.3799999999999999 111.138 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.496 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 28.4 mt . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 115.147 -0.933 . . . . 2.0299999999999998 111.357 -173.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.924 0.392 . . . . 1.8100000000000001 111.386 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.37 2.41 73.8 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 121.101 -0.571 . . . . 1.3600000000000001 113.041 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -114.16 -36.19 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.103 0.408 . . . . 2.6600000000000001 112.103 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -77.94 159.57 28.76 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.225 -0.297 . . . . 1.26 111.048 -175.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -47.04 -55.19 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.895 0.747 . . . . 0.73999999999999999 111.727 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -51.35 -35.55 38.96 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.774 0.657 . . . . 0.37 112.774 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.6 m -71.75 -29.95 65.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.64000000000000001 111.169 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -89.25 -21.17 23.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.457 -0.338 . . . . 2.02 111.284 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 19' ' ' ALA . 65.1 t -73.39 129.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.84999999999999998 110.118 178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.2 p -112.95 -25.1 9.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 1.46 111.462 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.44 -177.9 3.27 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.771 -0.455 . . . . 1.8799999999999999 109.771 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -68.36 110.24 4.01 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.853 -0.795 . . . . 1.0800000000000001 108.853 169.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -27.65 67.48 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.201 0.815 . . . . 0.98999999999999999 113.201 -167.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 17.93 73.94 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.782 -0.723 . . . . 0.88 113.667 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.77 31.41 2.51 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.346 0.869 . . . . 1.05 113.346 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.604 ' O ' HD13 ' A' ' 34' ' ' LEU . 8.2 m -131.72 157.13 44.58 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 121.743 -0.598 . . . . 0.78000000000000003 110.379 172.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.6 t -48.23 -48.07 35.39 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 123.424 0.452 . . . . 1.6399999999999999 111.481 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.438 ' HB ' ' OE1' ' A' ' 50' ' ' GLU . 23.4 m -79.48 -43.85 22.4 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.534 0.568 . . . . 1.0700000000000001 112.534 -173.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.581 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 24.4 p -69.27 -12.57 61.78 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.581 -0.7 . . . . 0.69999999999999996 111.539 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.3 mp -77.38 -13.78 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.99 0.424 . . . . 1.1399999999999999 110.819 172.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 1.4099999999999999 110.797 178.722 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.898 0.38 . . . . 2.7599999999999998 110.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.581 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 15.3 t -53.36 121.73 8.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.314 -0.857 . . . . 0.56999999999999995 112.007 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.438 ' OE1' ' HB ' ' A' ' 32' ' ' THR . 3.4 mp0 -65.28 -17.98 64.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.862 -1.063 . . . . 1.9099999999999999 111.743 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HG3' ' SG ' ' A' ' 30' ' ' CYS . 99.4 mtt180 -96.07 39.95 1.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.256 0.55 . . . . 3.1000000000000001 110.314 176.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -114.61 -34.36 5.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.375 -0.83 . . . . 1.79 109.854 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -76.29 125.51 29.31 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.163 -0.926 . . . . 2.8999999999999999 109.757 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -51.12 123.76 10.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.603 -0.726 . . . . 0.68999999999999995 111.178 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.88 -10.51 59.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 1.28 110.597 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 56' ' ' ARG . 48.5 mtt180 -133.4 55.63 1.89 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.174 -0.466 . . . . 3.3799999999999999 110.087 -177.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 2.0299999999999998 110.862 -179.58 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 15.1 p . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 112.204 0.446 . . . . 1.8100000000000001 112.204 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.26 -2.29 77.27 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.96 -0.638 . . . . 1.3600000000000001 113.523 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -116.26 -31.05 5.76 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.757 0.651 . . . . 2.6600000000000001 112.757 -175.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -74.85 157.22 35.47 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 120.674 -0.41 . . . . 1.26 110.806 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.22 -56.73 3.9 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 124.025 0.828 . . . . 0.73999999999999999 111.463 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -53.18 -30.73 39.05 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.974 0.731 . . . . 0.37 112.974 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 m -71.75 -31.97 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.64000000000000001 111.011 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -90.54 -21.49 21.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.887 -0.597 . . . . 2.02 111.234 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 19' ' ' ALA . 46.7 t -74.47 133.73 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.97 -0.381 . . . . 0.84999999999999998 109.97 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -105.47 -37.14 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.787 0.327 . . . . 1.46 111.747 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.77 -172.8 2.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.416 -0.356 . . . . 1.8799999999999999 110.463 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.7 p-10 -65.45 125.64 25.77 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.348 -0.612 . . . . 1.0800000000000001 109.348 174.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.2 p -63.89 -26.81 68.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.663 -0.699 . . . . 0.98999999999999999 111.855 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.23 10.85 83.14 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.034 -0.603 . . . . 0.88 113.155 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.15 28.26 4.12 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.356 0.873 . . . . 1.05 113.356 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.606 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 32.8 m -114.89 141.93 47.27 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.194 -1.039 . . . . 0.78000000000000003 108.194 170.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.529 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 13.7 t -51.97 -30.53 25.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.514 -0.551 . . . . 1.6399999999999999 109.514 171.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -77.82 -50.87 11.45 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.629 -0.714 . . . . 1.0700000000000001 112.224 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.606 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 24.8 p -73.03 -5.46 38.99 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.708 -0.62 . . . . 0.69999999999999996 111.597 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.9 mp -83.04 -23.28 33.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.156 0.503 . . . . 1.1399999999999999 109.837 170.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 31' ' ' SER . 82.0 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.594 -0.73 . . . . 1.4099999999999999 109.987 175.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.8 tptm . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 108.902 -0.777 . . . . 2.7599999999999998 108.902 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.604 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 53.1 t -51.07 121.64 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.614 0.721 . . . . 0.56999999999999995 111.306 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.484 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 25.4 mt-10 -66.93 -16.26 64.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.869 -1.06 . . . . 1.9099999999999999 111.336 -177.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 25.4 mmm180 -90.6 28.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.417 0.627 . . . . 3.1000000000000001 109.929 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.518 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -115.64 -5.8 12.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.981 0.896 . . . . 1.79 109.102 171.098 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -100.43 111.46 23.73 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.264 -1.335 . . . . 2.8999999999999999 109.952 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.458 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 51.8 t -51.45 125.67 15.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 0.68999999999999995 111.174 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.2 -9.85 58.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.28 110.982 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -137.88 67.06 1.43 Allowed 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.052 -0.722 . . . . 3.3799999999999999 109.052 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.8 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 121.143 0.497 . . . . 2.0299999999999998 110.173 178.35 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.509 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 19.1 p . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 112.178 0.436 . . . . 1.8100000000000001 112.178 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.14 -4.22 85.9 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.717 -0.754 . . . . 1.3600000000000001 113.022 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -110.91 -35.64 5.89 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.474 0.546 . . . . 2.6600000000000001 112.474 -175.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 p -75.46 158.01 33.25 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.791 -0.364 . . . . 1.26 110.836 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.31 -55.61 5.77 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.827 0.705 . . . . 0.73999999999999999 112.177 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.82 22.98 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.033 0.753 . . . . 0.37 113.033 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 m -77.44 -21.69 52.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.64000000000000001 111.672 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -89.71 -28.04 19.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.312 0.577 . . . . 2.02 109.977 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 19' ' ' ALA . 35.2 t -76.48 122.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.438 -0.801 . . . . 0.84999999999999998 109.793 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.9 p -104.07 -14.01 16.07 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.157 0.428 . . . . 1.46 112.157 -175.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -131.44 -172.9 2.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.925 -0.398 . . . . 1.8799999999999999 109.925 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.5 p-10 -63.47 116.66 5.78 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.931 -0.766 . . . . 1.0800000000000001 108.931 171.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -61.31 -23.22 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.741 -0.663 . . . . 0.98999999999999999 112.495 -172.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.427 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 77.38 14.19 82.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.829 -0.701 . . . . 0.88 113.077 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -130.21 22.37 5.24 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.084 0.772 . . . . 1.05 113.084 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' HD13 ' A' ' 34' ' ' LEU . 13.9 m -118.6 136.51 53.84 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.54 -0.911 . . . . 0.78000000000000003 108.54 170.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 m -52.38 -21.48 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.075 0.464 . . . . 1.6399999999999999 110.518 172.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -59.02 2.95 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.696 -0.684 . . . . 1.0700000000000001 111.769 176.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.532 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 31.1 p -69.34 -13.06 62.17 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.15 -0.344 . . . . 0.69999999999999996 111.721 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.6 mp -76.53 -12.3 60.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.007 0.432 . . . . 1.1399999999999999 111.015 174.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 109.116 -0.698 . . . . 1.4099999999999999 109.116 175.051 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.443 -0.206 . . . . 2.7599999999999998 110.443 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 41.9 t -52.19 105.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.012 0.434 . . . . 0.56999999999999995 109.847 172.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.86 -27.81 68.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.573 . . . . 1.9099999999999999 111.002 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -88.08 33.57 0.73 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 3.1000000000000001 110.663 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' HG2' ' SG ' ' A' ' 49' ' ' CYS . 20.1 mmm-85 -114.66 -10.63 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.683 0.754 . . . . 1.79 109.114 167.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -81.89 115.35 21.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.521 -1.218 . . . . 2.8999999999999999 109.037 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.509 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 48.7 t -52.55 116.41 2.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.68999999999999995 110.141 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.408 ' H ' HD22 ' A' ' 55' ' ' LEU . 2.7 mm? -73.56 -18.12 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 1.28 111.071 -174.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 31.0 mtm-85 -140.45 71.88 1.38 Allowed 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.958 -0.756 . . . . 3.3799999999999999 108.958 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 54' ' ' CYS . 82.1 mt . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.005 -0.543 . . . . 2.0299999999999998 110.731 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 18.2 p . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 112.222 0.452 . . . . 1.8100000000000001 112.222 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.74 -3.94 81.17 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.919 -0.658 . . . . 1.3600000000000001 112.926 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -110.61 -36.7 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.437 0.532 . . . . 2.6600000000000001 112.437 -175.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 p -75.17 157.25 34.89 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.897 -0.321 . . . . 1.26 111.07 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.53 -52.54 10.25 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.848 0.717 . . . . 0.73999999999999999 111.679 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -50.61 -38.44 45.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.796 -0.638 . . . . 0.37 112.087 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 m -72.37 -24.39 61.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.428 -0.351 . . . . 0.64000000000000001 111.728 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -90.14 -20.8 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.957 0.408 . . . . 2.02 110.708 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 19' ' ' ALA . 98.5 t -72.6 -44.74 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.922 -0.581 . . . . 0.84999999999999998 110.692 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.8 p 62.16 -17.02 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.091 1.356 . . . . 1.46 114.277 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 23' ' ' VAL . 31.9 mt-10 -132.48 174.02 10.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.435 -0.209 . . . . 1.8799999999999999 110.435 -175.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.87 105.25 2.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 1.0800000000000001 109.678 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.1 p -62.8 -23.33 67.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.74 -0.664 . . . . 0.98999999999999999 112.774 -172.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.52 10.94 71.7 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 121.189 -0.529 . . . . 0.88 113.59 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.18 28.81 4.71 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.797 0.665 . . . . 1.05 112.797 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 56.8 m -104.3 155.79 18.45 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.931 -0.766 . . . . 0.78000000000000003 108.931 170.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.8 m -49.72 -39.66 37.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.15 0.5 . . . . 1.6399999999999999 110.205 172.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.5 m -80.96 -52.19 7.71 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.982 0.734 . . . . 1.0700000000000001 112.982 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.0 p -68.33 -7.04 27.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.68 -0.637 . . . . 0.69999999999999996 111.628 -173.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.09 -13.79 60.51 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.671 0.272 . . . . 1.1399999999999999 111.22 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 111.636 0.235 . . . . 1.4099999999999999 111.636 -176.284 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.805 -0.443 . . . . 2.7599999999999998 109.805 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 52.0 t -53.36 109.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.172 -0.677 . . . . 0.56999999999999995 109.172 172.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.92 -29.84 68.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.217 -0.901 . . . . 1.9099999999999999 111.795 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 40.9 mmt180 -91.92 33.35 1.05 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.266 0.555 . . . . 3.1000000000000001 110.778 175.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.534 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -118.38 -24.38 6.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.675 0.75 . . . . 1.79 109.573 168.379 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -83.63 111.16 18.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.574 -1.194 . . . . 2.8999999999999999 109.364 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.444 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 53.7 t -50.25 126.29 14.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.668 -0.696 . . . . 0.68999999999999995 111.528 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.7 -9.33 58.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 1.28 111.038 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 97.1 mtt180 -139.51 65.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.241 -0.652 . . . . 3.3799999999999999 109.241 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 54' ' ' CYS . 67.2 mt . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 2.0299999999999998 110.632 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.889 0.376 . . . . 1.8100000000000001 111.101 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.4 1.78 85.71 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.84 -0.695 . . . . 1.3600000000000001 112.402 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -120.1 -36.58 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.995 0.739 . . . . 2.6600000000000001 112.995 -172.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -77.38 168.93 19.2 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.542 -0.463 . . . . 1.26 111.119 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.92 -60.85 1.65 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.311 0.856 . . . . 0.73999999999999999 113.311 -174.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.6 -30.39 68.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.972 0.36 . . . . 0.37 111.972 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.9 m -77.92 -13.02 60.02 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.986 0.422 . . . . 0.64000000000000001 111.159 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -85.39 -27.96 25.47 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.969 -0.752 . . . . 2.02 108.969 172.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 19' ' ' ALA . 40.3 t -76.99 132.59 32.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.483 -1.235 . . . . 0.84999999999999998 109.927 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.1 p -123.68 -4.57 8.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.817 0.341 . . . . 1.46 111.271 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -136.62 -170.05 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.099 -0.5 . . . . 1.8799999999999999 110.548 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -63.62 110.17 1.92 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.675 -0.693 . . . . 1.0800000000000001 109.775 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.4 p -61.88 -20.06 63.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.565 . . . . 0.98999999999999999 111.479 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.83 18.04 73.66 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 116.101 -0.5 . . . . 0.88 113.104 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.81 -16.78 8.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.768 0.655 . . . . 1.05 112.768 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.9 138.08 34.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.261 -0.644 . . . . 0.78000000000000003 109.261 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 p -51.4 -23.96 4.35 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.46 0.475 . . . . 1.6399999999999999 111.43 174.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.9 -59.66 2.66 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 115.776 -0.647 . . . . 1.0700000000000001 111.361 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.607 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 20.7 p -70.88 -13.7 62.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.356 -0.384 . . . . 0.69999999999999996 111.586 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.48 -7.89 54.51 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.752 0.31 . . . . 1.1399999999999999 111.005 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.346 -0.388 . . . . 1.4099999999999999 110.518 177.474 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.855 0.359 . . . . 2.7599999999999998 111.347 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.607 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 40.3 t -52.89 111.08 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.467 -0.788 . . . . 0.56999999999999995 110.082 173.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 41.9 mt-10 -62.75 -16.3 57.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 1.9099999999999999 111.377 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -93.16 32.6 1.29 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.892 0.377 . . . . 3.1000000000000001 110.763 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 18.8 mmm-85 -115.18 -24.94 8.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.475 0.655 . . . . 1.79 110.338 174.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 12.8 ptm180 -83.49 134.79 34.83 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.943 -1.026 . . . . 2.8999999999999999 110.501 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.5 t -51.78 126.25 17.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.471 -0.786 . . . . 0.68999999999999995 110.344 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.68 -35.11 65.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.438 -0.346 . . . . 1.28 111.476 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -102.06 -3.73 27.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.309 0.576 . . . . 3.3799999999999999 110.704 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 57' ' ' ILE . 31.4 mt . . . . . 0 CA--C 1.535 0.37 0 CA-C-N 114.804 -1.089 . . . . 2.0299999999999998 111.391 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.603 ' N ' ' HG ' ' A' ' 21' ' ' CYS . 15.9 p . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.984 0.421 . . . . 1.8100000000000001 111.177 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.1 -4.93 60.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.123 -0.56 . . . . 1.3600000000000001 112.936 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -105.92 -38.01 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.975 0.361 . . . . 2.6600000000000001 111.975 -174.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.65 156.15 27.74 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.6 -0.44 . . . . 1.26 110.869 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.561 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -46.62 -55.25 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.935 0.772 . . . . 0.73999999999999999 112.236 -176.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.29 -37.11 45.66 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.816 0.673 . . . . 0.37 112.816 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.603 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 62.4 m -74.98 -21.81 58.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.758 0.314 . . . . 0.64000000000000001 111.502 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -87.13 -23.01 25.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.984 0.421 . . . . 2.02 110.295 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 19' ' ' ALA . 60.4 t -74.15 131.91 34.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.628 -0.714 . . . . 0.84999999999999998 109.525 175.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 p -111.2 -29.47 7.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.042 0.449 . . . . 1.46 111.684 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -120.85 -175.03 2.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.431 0.634 . . . . 1.8799999999999999 111.471 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -62.49 108.49 1.14 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.177 -0.919 . . . . 1.0800000000000001 110.25 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.5 p -59.2 -26.44 64.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.659 -0.701 . . . . 0.98999999999999999 112.467 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.92 18.07 64.06 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.797 -0.716 . . . . 0.88 113.133 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.4 -0.85 6.29 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.412 0.893 . . . . 1.05 113.412 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.65 ' O ' HD13 ' A' ' 34' ' ' LEU . 10.9 m -101.5 134.32 44.78 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.349 -0.612 . . . . 0.78000000000000003 109.349 178.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 m -50.93 -22.21 2.13 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.986 0.422 . . . . 1.6399999999999999 110.974 173.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -80.24 -56.63 4.08 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.024 -0.535 . . . . 1.0700000000000001 111.595 176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.567 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 23.9 p -70.53 -11.25 60.81 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 122.02 -0.425 . . . . 0.69999999999999996 112.079 -175.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.2 mp -75.17 -9.42 58.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.704 0.288 . . . . 1.1399999999999999 111.423 177.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.423 -0.353 . . . . 1.4099999999999999 110.192 178.322 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.814 0.34 . . . . 2.7599999999999998 110.68 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.567 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 15.7 t -53.08 124.56 14.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.285 0.564 . . . . 0.56999999999999995 110.536 174.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.524 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 33.1 mt-10 -64.63 -15.38 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.263 -0.88 . . . . 1.9099999999999999 111.842 -176.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -90.99 30.57 1.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.427 0.632 . . . . 3.1000000000000001 109.927 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.532 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -111.42 -10.23 14.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.181 -0.918 . . . . 1.79 108.576 170.481 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -86.83 112.72 22.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.137 -1.392 . . . . 2.8999999999999999 110.04 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 t -52.7 131.7 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 0.68999999999999995 110.344 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.66 -38.16 62.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 1.28 111.574 -173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -107.28 -1.78 21.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.045 0.45 . . . . 3.3799999999999999 111.318 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 57' ' ' ILE . 28.0 mt . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 114.991 -1.004 . . . . 2.0299999999999998 111.259 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' N ' ' HG ' ' A' ' 21' ' ' CYS . 15.7 p . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.976 0.417 . . . . 1.8100000000000001 111.427 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.17 8.02 64.33 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.95 -0.568 . . . . 1.3600000000000001 112.723 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -113.6 -41.64 3.59 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.889 -0.183 . . . . 2.6600000000000001 111.215 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -79.87 152.9 29.39 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.033 -0.358 . . . . 1.26 110.033 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.93 -55.51 5.4 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.823 0.702 . . . . 0.73999999999999999 112.239 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.85 -42.47 36.55 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.889 0.7 . . . . 0.37 112.889 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.564 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 70.9 m -72.55 -16.16 61.76 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.837 0.31 . . . . 0.64000000000000001 111.837 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -89.18 -19.95 24.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.43 0.634 . . . . 2.02 109.996 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 19' ' ' ALA . 39.1 t -77.07 157.72 5.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.764 -1.107 . . . . 0.84999999999999998 110.242 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.549 HG23 ' HG3' ' A' ' 25' ' ' GLU . 13.4 t -140.75 3.38 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.827 0.346 . . . . 1.46 111.257 175.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.549 ' HG3' HG23 ' A' ' 24' ' ' THR . 21.3 mt-10 -137.59 176.75 8.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.361 -0.381 . . . . 1.8799999999999999 110.397 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -68.08 117.15 9.54 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.596 -0.89 . . . . 1.0800000000000001 108.596 167.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.2 p -59.24 -28.41 66.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.274 0.842 . . . . 0.98999999999999999 113.274 -169.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.543 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 81.71 19.79 65.07 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.457 -0.878 . . . . 0.88 112.922 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.44 -6.95 6.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.027 0.751 . . . . 1.05 113.027 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.57 ' O ' HD13 ' A' ' 34' ' ' LEU . 12.9 m -97.02 130.58 44.32 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.066 -0.716 . . . . 0.78000000000000003 109.066 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.499 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.1 p -52.57 -22.37 4.89 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.329 0.393 . . . . 1.6399999999999999 110.895 173.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.8 m -78.31 -55.86 4.91 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.068 -0.514 . . . . 1.0700000000000001 111.576 174.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.567 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 19.5 p -69.19 -16.11 63.54 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 122.061 -0.4 . . . . 0.69999999999999996 111.447 -175.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.5 mp -77.32 -14.75 59.67 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.805 0.298 . . . . 1.1399999999999999 111.805 176.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 31' ' ' SER . 98.0 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.701 0.286 . . . . 1.4099999999999999 111.541 -175.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 121.001 0.429 . . . . 2.7599999999999998 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.58 130.79 41.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.56999999999999995 109.572 170.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.23 -14.35 60.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 1.9099999999999999 111.96 -174.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -99.59 34.24 2.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.361 0.601 . . . . 3.1000000000000001 110.458 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -118.0 -21.62 8.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.711 -0.677 . . . . 1.79 109.419 172.668 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -89.18 122.62 32.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.366 -0.834 . . . . 2.8999999999999999 109.782 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 37.4 t -53.93 115.53 2.07 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.09 0.244 . . . . 0.68999999999999995 110.654 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.74 -11.65 59.9 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.887 0.375 . . . . 1.28 111.141 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -139.37 67.23 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.654 -0.498 . . . . 3.3799999999999999 109.654 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.468 -0.787 . . . . 2.0299999999999998 111.13 -178.952 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 112.517 0.562 . . . . 1.8100000000000001 112.517 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.16 0.34 90.16 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.724 -0.75 . . . . 1.3600000000000001 112.977 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -110.71 -37.96 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.066 0.433 . . . . 2.6600000000000001 111.878 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.7 p -76.53 156.78 32.61 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.961 -0.295 . . . . 1.26 110.969 -173.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.48 -57.07 3.28 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 124.061 0.851 . . . . 0.73999999999999999 112.694 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.56 -31.34 64.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.625 0.602 . . . . 0.37 112.625 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.8 m -73.4 -23.29 60.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.64000000000000001 111.124 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -89.18 -28.8 19.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.327 -0.397 . . . . 2.02 110.64 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 19' ' ' ALA . 99.4 t -72.71 132.12 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.84999999999999998 109.895 177.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 p -111.77 -27.85 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.004 0.372 . . . . 1.46 112.004 -176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.04 -176.91 4.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.408 -0.36 . . . . 1.8799999999999999 110.569 -176.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.69 120.66 13.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.532 0.682 . . . . 1.0800000000000001 110.485 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -25.49 67.26 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.388 -0.824 . . . . 0.98999999999999999 111.436 177.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.36 4.88 90.01 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.964 -0.562 . . . . 0.88 114.495 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.59 26.0 4.4 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.951 0.875 . . . . 1.05 112.426 -178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.469 ' O ' HD13 ' A' ' 34' ' ' LEU . 3.8 m -116.68 158.57 23.57 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.431 -0.581 . . . . 0.78000000000000003 109.431 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -48.29 -49.58 33.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.156 0.503 . . . . 1.6399999999999999 110.825 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -33.22 56.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.997 -0.547 . . . . 1.0700000000000001 111.559 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.444 ' HB2' ' H ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -64.65 -27.62 69.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.69999999999999996 111.564 178.244 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.5 mp -78.23 -15.71 58.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.146 0.498 . . . . 1.1399999999999999 110.453 176.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.859 -0.61 . . . . 1.4099999999999999 110.085 175.052 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.951 0.405 . . . . 2.7599999999999998 110.086 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 51' ' ' ARG . 18.4 t -50.41 133.86 24.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.455 -0.793 . . . . 0.56999999999999995 112.26 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.81 -16.94 61.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.199 -0.909 . . . . 1.9099999999999999 111.233 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 26.1 mmm180 -92.12 29.11 1.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.517 . . . . 3.1000000000000001 110.221 177.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -109.81 -17.4 13.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.518 -0.764 . . . . 1.79 109.413 173.267 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -80.91 127.11 32.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.728 -1.123 . . . . 2.8999999999999999 110.128 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.532 ' HB3' HG12 ' A' ' 57' ' ' ILE . 49.4 t -50.94 117.79 2.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.643 -0.708 . . . . 0.68999999999999995 111.358 -178.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.87 -10.04 59.36 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.273 0.559 . . . . 1.28 110.546 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -140.16 65.45 1.42 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.629 -0.714 . . . . 3.3799999999999999 110.042 -175.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.532 HG12 ' HB3' ' A' ' 54' ' ' CYS . 69.5 mt . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 121.167 0.508 . . . . 2.0299999999999998 110.189 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 20.7 p . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 120.738 0.304 . . . . 1.8100000000000001 111.734 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.09 -21.31 42.77 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.038 -0.601 . . . . 1.3600000000000001 113.246 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -103.63 -26.96 12.59 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.659 0.614 . . . . 2.6600000000000001 112.659 -171.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 p -78.36 157.65 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.329 -0.548 . . . . 1.26 110.587 -176.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.97 -56.84 3.67 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 124.076 0.86 . . . . 0.73999999999999999 112.436 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.67 63.86 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.425 0.528 . . . . 0.37 112.425 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.7 m -72.44 -30.38 64.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 0.64000000000000001 111.318 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -88.52 -8.67 54.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.116 0.484 . . . . 2.02 110.239 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 19' ' ' ALA . 95.9 t -76.04 147.58 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.537 -0.756 . . . . 0.84999999999999998 109.516 174.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -109.88 -41.99 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.0 0.37 . . . . 1.46 112.0 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -118.5 -176.96 3.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.799 0.333 . . . . 1.8799999999999999 110.978 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.79 138.02 57.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.14 -0.689 . . . . 1.0800000000000001 109.14 173.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 p -64.67 -21.35 66.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.048 0.759 . . . . 0.98999999999999999 113.048 -173.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.413 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 71.97 18.75 77.91 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.934 -0.65 . . . . 0.88 113.342 -176.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.17 14.9 3.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.791 1.034 . . . . 1.05 113.791 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.591 ' O ' HD13 ' A' ' 34' ' ' LEU . 27.0 m -103.87 140.75 37.24 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.494 -0.928 . . . . 0.78000000000000003 108.494 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.2 p -50.87 -27.63 7.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.406 0.622 . . . . 1.6399999999999999 110.306 172.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -56.75 4.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.445 -0.798 . . . . 1.0700000000000001 111.794 178.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.586 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 21.8 p -69.63 -9.25 53.42 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.125 -0.359 . . . . 0.69999999999999996 111.826 -174.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.8 mp -81.82 -2.08 49.71 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.03 0.381 . . . . 1.1399999999999999 112.03 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.08 0.467 . . . . 1.4099999999999999 111.256 -177.149 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.012 0.434 . . . . 2.7599999999999998 111.566 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 41.5 t -54.21 129.72 36.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.56999999999999995 110.601 173.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.54 -21.44 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.883 -0.598 . . . . 1.9099999999999999 112.297 -177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -93.98 24.23 4.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.349 0.595 . . . . 3.1000000000000001 110.676 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -113.84 -11.24 12.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.818 0.818 . . . . 1.79 108.988 172.446 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -87.66 114.01 23.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.504 -1.226 . . . . 2.8999999999999999 109.859 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.459 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 40.3 t -50.57 128.76 21.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 0.68999999999999995 111.318 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.93 -4.86 49.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.28 110.847 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -138.21 61.43 1.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.368 -0.378 . . . . 3.3799999999999999 110.019 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.09 -0.504 . . . . 2.0299999999999998 110.596 -176.88 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 18.5 p . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 113.045 0.757 . . . . 1.8100000000000001 113.045 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.2 -4.55 85.38 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.643 -0.789 . . . . 1.3600000000000001 113.398 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -116.16 -22.61 8.83 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 117.506 0.653 . . . . 2.6600000000000001 112.737 -175.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -81.92 160.82 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.524 -0.471 . . . . 1.26 110.338 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.82 -57.26 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.836 0.71 . . . . 0.73999999999999999 111.959 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.58 -34.01 35.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.423 0.527 . . . . 0.37 112.423 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 m -72.73 -26.09 61.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.016 0.376 . . . . 0.64000000000000001 112.016 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -91.56 -13.68 31.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.145 0.498 . . . . 2.02 110.717 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 19' ' ' ALA . 95.9 t -74.56 139.64 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.741 -0.663 . . . . 0.84999999999999998 110.756 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.2 p -101.99 -42.65 6.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.39 -0.368 . . . . 1.46 111.3 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -121.04 142.89 49.39 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.642 -0.503 . . . . 1.8799999999999999 109.642 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.53 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -67.19 157.44 33.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.238 0.542 . . . . 1.0800000000000001 110.218 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -28.32 69.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.206 -0.907 . . . . 0.98999999999999999 113.049 -170.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.96 8.05 46.79 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 114.347 0.499 . . . . 0.88 114.347 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.23 -2.95 3.92 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.364 1.246 . . . . 1.05 114.364 -174.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.491 ' O ' HD13 ' A' ' 34' ' ' LEU . 15.0 p -102.29 143.97 31.38 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 118.944 0.793 . . . . 0.78000000000000003 110.081 -176.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -48.97 -22.31 0.84 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.184 0.928 . . . . 1.6399999999999999 113.14 -170.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.4 m -75.57 -57.14 4.06 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.206 -0.197 . . . . 1.0700000000000001 111.191 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.4 p -71.04 -13.21 61.91 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.976 0.417 . . . . 0.69999999999999996 111.319 -178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.1 mp -78.95 -0.03 29.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 1.1399999999999999 111.317 177.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 109.632 -0.507 . . . . 1.4099999999999999 109.632 176.947 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.834 0.349 . . . . 2.7599999999999998 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.587 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 53.2 t -48.08 141.94 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.423 -0.808 . . . . 0.56999999999999995 110.704 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.7 -22.04 61.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.847 -0.615 . . . . 1.9099999999999999 111.443 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HB3' HG21 ' A' ' 23' ' ' VAL . 25.7 mmt180 -97.02 21.59 9.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.094 0.473 . . . . 3.1000000000000001 110.879 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.653 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -125.35 -35.38 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.474 . . . . 1.79 110.647 176.632 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -81.45 118.11 22.43 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.893 -0.594 . . . . 2.8999999999999999 110.461 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.522 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 43.7 t -54.29 125.21 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.748 -0.66 . . . . 0.68999999999999995 111.046 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -78.45 -3.04 41.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.491 . . . . 1.28 111.168 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 97.4 mtt180 -142.12 68.87 1.32 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.554 -0.536 . . . . 3.3799999999999999 109.554 -176.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--N 1.321 -0.637 0 CA-C-O 121.287 0.565 . . . . 2.0299999999999998 110.51 179.91 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.845 0.355 . . . . 1.8100000000000001 110.958 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.521 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 101.26 -31.39 8.72 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.794 -0.717 . . . . 1.3600000000000001 113.966 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -106.47 -12.3 15.67 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.323 0.86 . . . . 2.6600000000000001 113.323 -171.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -81.28 150.25 28.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.669 -0.493 . . . . 1.26 109.669 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -47.13 -63.81 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.73999999999999999 110.812 178.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -55.96 -32.44 63.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.588 -0.733 . . . . 0.37 112.494 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.521 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 33.8 m -78.92 -9.73 59.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.124 0.416 . . . . 0.64000000000000001 112.124 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 48.0 mt-30 -94.38 -31.59 13.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.39 0.614 . . . . 2.02 109.474 172.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 19' ' ' ALA . 42.3 t -76.76 141.0 16.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.84999999999999998 109.988 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.3 t -136.09 5.59 3.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.469 0.652 . . . . 1.46 110.518 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -120.79 156.74 31.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.448 -0.796 . . . . 1.8799999999999999 109.662 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.13 106.83 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.004 -0.739 . . . . 1.0800000000000001 109.004 170.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.3 p -57.08 -24.79 56.45 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.256 0.836 . . . . 0.98999999999999999 113.256 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.514 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 77.37 19.27 76.85 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.582 -0.818 . . . . 0.88 113.005 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.93 2.23 5.96 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.188 0.81 . . . . 1.05 113.188 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.615 ' O ' HD13 ' A' ' 34' ' ' LEU . 14.0 m -103.43 135.08 45.71 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.72 -0.845 . . . . 0.78000000000000003 108.72 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 m -51.59 -21.39 2.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.989 0.424 . . . . 1.6399999999999999 110.649 172.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.4 m -82.14 -55.93 4.25 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.802 -0.635 . . . . 1.0700000000000001 112.295 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.568 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 29.8 p -68.22 -13.65 62.4 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.796 -0.565 . . . . 0.69999999999999996 111.966 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.6 mp -78.67 -11.84 59.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 1.1399999999999999 110.957 175.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 1.4099999999999999 111.426 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.182 0.515 . . . . 2.7599999999999998 110.772 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 52.9 t -52.2 125.8 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.327 -0.852 . . . . 0.56999999999999995 111.047 178.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.476 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 30.9 mt-10 -66.52 -18.35 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.143 -0.935 . . . . 1.9099999999999999 111.346 -177.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 51' ' ' ARG . 26.2 mtm180 -103.72 33.74 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.343 0.592 . . . . 3.1000000000000001 110.369 172.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -115.44 -23.55 8.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.304 -0.862 . . . . 1.79 109.577 168.432 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -84.34 120.04 25.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.513 -1.221 . . . . 2.8999999999999999 110.238 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB3' HG12 ' A' ' 57' ' ' ILE . 53.2 t -54.59 130.4 39.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.172 0.51 . . . . 0.68999999999999995 111.516 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.27 -25.69 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.527 -0.761 . . . . 1.28 111.232 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.0 ptt85 -142.42 72.46 1.38 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.802 0.81 . . . . 3.3799999999999999 110.19 -175.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.403 HG12 ' HB3' ' A' ' 54' ' ' CYS . 70.2 mt . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 114.847 -1.07 . . . . 2.0299999999999998 111.276 -178.493 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' N ' ' HG ' ' A' ' 21' ' ' CYS . 22.6 p . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.598 0.237 . . . . 1.8100000000000001 110.887 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.475 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . 161.3 -32.31 0.36 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.664 -0.779 . . . . 1.3600000000000001 113.835 177.768 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -104.18 -13.17 16.31 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.266 1.21 . . . . 2.6600000000000001 114.266 -169.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 m -80.9 158.98 25.11 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.181 -0.608 . . . . 1.26 109.627 178.734 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -48.43 -61.23 2.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.73999999999999999 110.643 175.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.14 -41.2 26.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.567 -0.742 . . . . 0.37 112.312 174.125 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.571 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 83.9 m -77.89 -9.49 59.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.95 -0.568 . . . . 0.64000000000000001 112.027 -176.319 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -87.74 -26.46 22.9 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.151 -0.685 . . . . 2.02 109.151 170.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 19' ' ' ALA . 53.5 t -77.13 139.21 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.659 -1.155 . . . . 0.84999999999999998 110.72 -178.206 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -121.55 -20.81 6.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.415 -0.357 . . . . 1.46 111.765 -178.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -133.42 -170.08 2.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.061 0.458 . . . . 1.8799999999999999 110.764 -177.489 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -65.56 112.3 3.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.64 -0.709 . . . . 1.0800000000000001 109.622 171.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.441 ' SG ' HG11 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -63.79 -30.59 71.66 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.831 -0.622 . . . . 0.98999999999999999 110.837 -179.602 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.01 6.07 82.56 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.723 -0.671 . . . . 0.88 113.951 174.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.01 31.97 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.541 0.671 . . . . 1.05 111.942 -178.479 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.2 m -124.35 155.43 38.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 119.411 -0.328 . . . . 0.78000000000000003 110.259 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -46.9 -50.82 18.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.969 0.414 . . . . 1.6399999999999999 111.21 178.358 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.431 ' HB ' ' HA ' ' A' ' 49' ' ' CYS . 7.7 m -77.05 -31.03 55.89 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.209 -0.451 . . . . 1.0700000000000001 111.267 -179.493 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.2 m -68.45 -28.15 66.8 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.848 0.314 . . . . 0.69999999999999996 111.848 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.7 mp -76.38 -13.29 60.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.8 0.333 . . . . 1.1399999999999999 110.78 179.326 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.4 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.14 -0.482 . . . . 1.4099999999999999 110.07 175.287 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.207 0.527 . . . . 2.7599999999999998 111.074 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.431 ' HA ' ' HB ' ' A' ' 32' ' ' THR . 1.5 t -56.0 134.61 52.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.256 -0.884 . . . . 0.56999999999999995 111.112 176.911 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.11 -22.23 66.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.286 -0.87 . . . . 1.9099999999999999 111.171 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -96.27 37.86 1.23 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.058 -0.519 . . . . 3.1000000000000001 109.895 178.647 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 -122.85 -24.72 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.382 0.611 . . . . 1.79 110.812 174.208 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -79.54 132.77 36.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.304 -0.862 . . . . 2.8999999999999999 110.345 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.491 ' HB3' HG12 ' A' ' 57' ' ' ILE . 42.8 t -55.03 107.68 0.33 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.68999999999999995 110.596 177.116 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.65 -15.55 59.78 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.171 0.51 . . . . 1.28 110.743 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -139.95 73.34 1.42 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.719 -0.845 . . . . 3.3799999999999999 108.719 -175.586 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.491 HG12 ' HB3' ' A' ' 54' ' ' CYS . 20.8 mt . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.765 -0.652 . . . . 2.0299999999999998 110.635 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.042 0.449 . . . . 1.8100000000000001 110.754 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.57 1.89 67.31 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.799 -0.637 . . . . 1.3600000000000001 113.169 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -113.19 -37.25 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.146 0.424 . . . . 2.6600000000000001 112.146 -175.718 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 p -77.48 158.86 29.75 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.688 -0.405 . . . . 1.26 110.861 -174.221 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.689 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.67 -58.27 3.15 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 124.151 0.907 . . . . 0.73999999999999999 111.968 -177.171 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . . . -51.2 -41.01 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.991 0.737 . . . . 0.37 112.991 -177.37 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.1 m -73.12 -20.3 60.96 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.012 0.434 . . . . 0.64000000000000001 111.127 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -89.21 -31.54 17.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 2.02 110.571 178.506 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 19' ' ' ALA . 19.5 t -76.64 144.25 11.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.84999999999999998 110.46 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -108.34 -25.18 11.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.771 0.32 . . . . 1.46 111.772 -179.407 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.442 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 30.7 mt-10 -108.45 157.82 18.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.3 0.571 . . . . 1.8799999999999999 111.391 -175.421 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.5 p-10 -69.96 142.63 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.662 -0.699 . . . . 1.0800000000000001 110.172 175.348 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 p -64.58 -22.17 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.958 0.725 . . . . 0.98999999999999999 112.958 -173.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.99 21.03 80.17 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 121.047 -0.597 . . . . 0.88 113.455 -177.17 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.07 15.25 4.22 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.377 0.88 . . . . 1.05 113.377 179.208 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.565 ' O ' HD13 ' A' ' 34' ' ' LEU . 14.3 m -109.76 141.51 42.28 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.858 -0.794 . . . . 0.78000000000000003 108.858 174.129 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -50.08 -25.71 3.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.019 0.438 . . . . 1.6399999999999999 110.682 173.046 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -57.64 3.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.81 -0.632 . . . . 1.0700000000000001 111.868 177.319 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 31.8 p -69.6 -14.69 62.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.897 -0.321 . . . . 0.69999999999999996 111.723 -175.499 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.5 mp -74.66 -12.06 60.34 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.687 -0.233 . . . . 1.1399999999999999 111.519 175.317 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.599 -0.273 . . . . 1.4099999999999999 110.468 -179.43 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.8 mttm . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.073 0.463 . . . . 2.7599999999999998 110.62 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 42.2 t -53.11 110.96 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.067 -0.969 . . . . 0.56999999999999995 110.425 176.244 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -64.1 -12.54 40.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.067 0.46 . . . . 1.9099999999999999 111.671 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -86.99 -1.73 58.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.041 -0.527 . . . . 3.1000000000000001 111.005 178.918 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' NH1' HG11 ' A' ' 23' ' ' VAL . 11.4 mmp_? -103.22 0.8 32.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.594 0.711 . . . . 1.79 109.403 176.82 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' O ' HD22 ' A' ' 55' ' ' LEU . 69.4 mtp180 -80.16 126.81 31.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.873 -1.058 . . . . 2.8999999999999999 108.255 170.422 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.8 t -44.68 116.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.184 0.928 . . . . 0.68999999999999995 112.029 -174.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 3.7 mm? -75.22 -23.39 57.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.602 -0.726 . . . . 1.28 110.635 -179.019 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -129.03 67.23 1.42 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.778 -0.646 . . . . 3.3799999999999999 109.467 -177.757 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.562 -0.744 . . . . 2.0299999999999998 109.797 174.925 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' C ' ' H ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.511 -0.553 0 N-CA-C 110.329 -0.248 . . . . 1.8100000000000001 110.329 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 21' ' ' CYS . . . -59.79 39.27 0.03 OUTLIER Glycine 0 CA--C 1.526 0.739 0 O-C-N 124.901 1.375 . . . . 1.3600000000000001 115.352 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 15' ' ' CYS . 35.1 mt-10 -114.43 -17.99 11.62 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.708 -0.479 . . . . 2.6600000000000001 109.708 170.872 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.7 m -81.48 152.52 27.3 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.389 -0.597 . . . . 1.26 109.389 176.544 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.74 -64.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.33 0.394 . . . . 0.73999999999999999 111.757 -179.329 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.35 -34.9 72.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.37 111.907 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HB3' ' HA2' ' A' ' 16' ' ' GLY . 61.7 m -73.81 -18.47 60.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.359 -0.382 . . . . 0.64000000000000001 111.537 -179.382 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 78.6 mt-30 -83.28 -29.1 28.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.489 0.661 . . . . 2.02 109.486 174.467 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 19' ' ' ALA . 59.9 t -73.22 143.1 14.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 114.854 -1.066 . . . . 0.84999999999999998 109.151 178.072 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.481 HG23 ' HG3' ' A' ' 25' ' ' GLU . 7.3 t -129.84 -9.56 4.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.995 0.426 . . . . 1.46 111.44 -177.072 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 24' ' ' THR . 47.2 mt-10 -124.73 178.39 5.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.779 0.323 . . . . 1.8799999999999999 110.433 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.66 111.81 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.071 -0.513 . . . . 1.0800000000000001 110.005 175.184 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -60.99 -22.73 64.78 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.102 -0.499 . . . . 0.98999999999999999 112.035 -177.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.92 12.26 84.59 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.953 -0.642 . . . . 0.88 112.976 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.48 8.9 10.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.701 0.63 . . . . 1.05 112.701 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 12.4 m -107.57 140.59 40.33 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.312 -0.995 . . . . 0.78000000000000003 108.312 173.249 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -51.14 -30.42 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.139 0.495 . . . . 1.6399999999999999 110.256 175.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -76.72 -54.74 6.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.581 -0.736 . . . . 1.0700000000000001 111.479 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 15.8 p -72.32 -4.76 31.71 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.953 -0.299 . . . . 0.69999999999999996 111.739 -175.454 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 mt -77.35 -1.92 32.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.823 0.344 . . . . 1.1399999999999999 111.336 177.069 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.41 . . . . 1.4099999999999999 110.088 177.309 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.483 0.659 . . . . 2.7599999999999998 111.743 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 33.8 t -54.58 123.89 14.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.982 -1.008 . . . . 0.56999999999999995 109.894 171.452 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.98 -15.34 63.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.028 0.442 . . . . 1.9099999999999999 110.866 -178.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -96.29 29.59 2.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.235 0.54 . . . . 3.1000000000000001 109.866 176.525 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -119.01 -45.51 2.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.502 -0.772 . . . . 1.79 110.078 173.537 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 53' ' ' ARG . 13.8 ptm180 -77.14 140.5 40.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.47 -0.786 . . . . 2.8999999999999999 109.924 176.211 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 57' ' ' ILE . 11.9 t -51.84 150.13 4.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.31 -0.859 . . . . 0.68999999999999995 111.958 -176.43 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.62 -63.53 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.514 -0.767 . . . . 1.28 110.605 -177.578 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -101.81 -3.72 27.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.005 0.431 . . . . 3.3799999999999999 110.89 -178.757 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.49 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 69.2 mt . . . . . 0 CA--C 1.53 0.2 0 CA-C-N 115.095 -0.957 . . . . 2.0299999999999998 110.549 -175.009 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 9.0 p . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 112.002 0.371 . . . . 1.8100000000000001 112.002 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.02 -9.63 45.18 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 121.004 -0.617 . . . . 1.3600000000000001 113.582 -178.037 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -105.16 -31.21 9.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.125 0.462 . . . . 2.6600000000000001 111.939 -173.588 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 p -76.07 147.38 38.7 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.355 -0.538 . . . . 1.26 109.645 -177.615 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.53 -47.32 14.32 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.611 0.569 . . . . 0.73999999999999999 111.235 -177.852 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.61 -35.66 61.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.651 -0.704 . . . . 0.37 112.682 -177.12 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.1 m -69.95 -29.78 66.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 0.64000000000000001 111.297 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -96.55 -8.95 30.6 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.062 -0.517 . . . . 2.02 111.568 -177.174 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 19' ' ' ALA . 68.9 t -74.96 125.48 34.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.999 -0.371 . . . . 0.84999999999999998 109.999 176.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -111.92 -14.19 13.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.934 0.397 . . . . 1.46 111.298 -178.465 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.54 153.78 24.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.198 -0.455 . . . . 1.8799999999999999 110.649 -176.74 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -66.61 113.06 4.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.333 -0.988 . . . . 1.0800000000000001 108.333 168.921 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 p -59.23 -23.27 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.735 -0.666 . . . . 0.98999999999999999 112.654 -171.201 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.37 16.3 80.69 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.943 -0.646 . . . . 0.88 113.295 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.39 31.62 3.44 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.661 0.615 . . . . 1.05 112.661 178.801 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.556 ' O ' HD13 ' A' ' 34' ' ' LEU . 27.0 m -122.22 141.97 50.92 Favored 'General case' 0 CA--C 1.515 -0.365 0 N-CA-C 108.669 -0.863 . . . . 0.78000000000000003 108.669 170.088 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.485 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 24.2 t -51.51 -24.3 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.02 0.438 . . . . 1.6399999999999999 110.389 173.114 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -56.91 3.75 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.724 -0.671 . . . . 1.0700000000000001 112.244 178.452 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 21.6 p -72.37 -6.03 40.52 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.935 0.346 . . . . 0.69999999999999996 111.935 -175.704 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.6 mp -79.44 -27.91 41.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.28 0.562 . . . . 1.1399999999999999 110.028 171.091 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 31' ' ' SER . 71.3 mt . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.715 -0.675 . . . . 1.4099999999999999 110.404 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.564 -0.162 . . . . 2.7599999999999998 110.564 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 54.0 t -49.8 126.17 13.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.143 -0.48 . . . . 0.56999999999999995 110.239 176.33 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 40.2 mt-10 -69.23 1.49 3.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 1.9099999999999999 111.57 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 51' ' ' ARG . 40.9 mmt-85 -104.4 15.41 28.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.073 0.463 . . . . 3.1000000000000001 110.037 173.876 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.543 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -116.34 -17.36 10.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.446 0.641 . . . . 1.79 110.095 174.655 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 16.2 ptm180 -85.71 119.27 25.86 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.938 -1.028 . . . . 2.8999999999999999 109.779 176.108 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 45.3 t -53.24 117.44 3.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.063 0.459 . . . . 0.68999999999999995 110.993 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.33 -2.17 48.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 1.28 111.163 -178.839 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 29.5 mtp180 -144.46 69.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 3.3799999999999999 109.508 178.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.0 mt . . . . . 0 C--N 1.321 -0.636 0 CA-C-O 121.215 0.531 . . . . 2.0299999999999998 110.423 -179.467 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.224 -0.251 0 N-CA-C 112.067 0.395 . . . . 1.8100000000000001 112.067 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.592 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 78.49 -5.26 56.96 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.993 -0.623 . . . . 1.3600000000000001 113.692 -177.81 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -109.75 -31.05 7.59 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 117.398 0.599 . . . . 2.6600000000000001 112.314 -175.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.2 m -75.66 157.66 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.337 -0.616 . . . . 1.26 109.337 -179.831 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.87 -65.82 0.48 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.293 0.371 . . . . 0.73999999999999999 111.846 -179.227 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.24 68.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.156 0.503 . . . . 0.37 111.761 178.094 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.592 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 49.2 m -77.09 -17.78 58.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.162 -0.472 . . . . 0.64000000000000001 111.895 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 77.4 mt-30 -87.58 -23.9 24.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.303 0.573 . . . . 2.02 109.606 174.613 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 19' ' ' ALA . 89.2 t -71.2 139.93 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.082 -0.963 . . . . 0.84999999999999998 109.5 177.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 p -108.75 -34.97 6.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.138 0.422 . . . . 1.46 112.138 -174.611 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -116.79 172.76 7.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.675 -0.239 . . . . 1.8799999999999999 110.403 -177.352 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 1.7 p30 -68.32 134.31 50.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.307 0.575 . . . . 1.0800000000000001 109.876 177.659 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 p -63.63 -24.6 67.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.479 -0.782 . . . . 0.98999999999999999 112.771 -174.661 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.1 20.22 77.73 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 120.9 -0.667 . . . . 0.88 113.318 -177.158 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.33 7.69 4.59 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.427 0.899 . . . . 1.05 113.427 179.337 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.568 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 12.5 m -103.77 132.56 49.91 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.048 -1.093 . . . . 0.78000000000000003 108.048 174.658 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -51.68 -22.95 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.301 0.572 . . . . 1.6399999999999999 110.619 174.174 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -78.0 -52.46 8.76 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.351 -0.84 . . . . 1.0700000000000001 111.407 175.342 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.568 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 20.6 p -73.52 -12.54 60.81 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.256 0.465 . . . . 0.69999999999999996 112.256 -176.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.3 mp -75.86 -7.23 54.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 1.1399999999999999 110.93 175.795 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.369 -0.378 . . . . 1.4099999999999999 110.191 177.671 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 mttp . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.045 0.45 . . . . 2.7599999999999998 111.281 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 49.9 t -53.49 122.38 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.805 . . . . 0.56999999999999995 110.864 176.069 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 40.6 mt-10 -65.27 -19.88 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.86 -0.609 . . . . 1.9099999999999999 111.092 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.33 22.39 5.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.149 0.499 . . . . 3.1000000000000001 110.247 176.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -123.44 -15.56 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 1.79 110.661 174.433 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.0 ptp180 -83.78 136.69 34.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.562 -0.745 . . . . 2.8999999999999999 109.726 178.649 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.51 120.23 5.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 0.68999999999999995 111.284 178.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.1 mt -78.43 -22.29 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.585 -0.734 . . . . 1.28 110.782 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -147.39 77.79 1.45 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.337 -0.616 . . . . 3.3799999999999999 109.337 -173.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.818 -0.628 . . . . 2.0299999999999998 110.884 179.116 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.0 -0.44 . . . . 17.98 112.0 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.09 -25.73 73.26 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.043 2.496 . . . . 17.34 112.596 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.714 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.6 pt? -102.4 13.06 35.58 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.145 0.497 . . . . 17.469999999999999 110.422 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.4 -170.95 13.55 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.749 -0.738 . . . . 15.279999999999999 112.465 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 t -124.84 16.62 8.65 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.142 0.496 . . . . 13.77 109.851 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -97.21 144.45 27.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 12.98 110.429 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -109.12 134.78 51.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.34 -0.391 . . . . 10.970000000000001 110.305 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -93.44 -12.4 29.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.103 0.478 . . . . 11.6 110.744 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.9 tpt -160.62 111.02 1.79 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.918 -0.583 . . . . 10.210000000000001 109.904 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -81.57 97.0 7.63 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.912 -0.403 . . . . 6.4100000000000001 109.912 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -83.81 76.73 9.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.054 -0.521 . . . . 9.5199999999999996 110.676 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 56.54 55.03 6.81 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.479 0.657 . . . . 8.8900000000000006 110.305 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.95 155.0 15.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.197 -0.91 . . . . 4.2400000000000002 109.026 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' HA3' ' SG ' ' A' ' 21' ' ' CYS . . . -79.62 172.6 55.02 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.103 -0.57 . . . . 2.1499999999999999 113.247 -175.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -57.55 -24.83 58.31 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.724 0.41 . . . . 1.8100000000000001 111.785 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 4.16 90.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.048 -0.596 . . . . 1.3600000000000001 112.191 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -113.27 -53.67 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.74 0.274 . . . . 2.6600000000000001 111.74 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 p -79.3 154.41 29.13 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.911 -0.315 . . . . 1.26 111.609 -170.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.42 -53.32 8.88 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.811 0.694 . . . . 0.73999999999999999 112.567 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.39 58.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.899 0.704 . . . . 0.37 112.899 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.41 ' SG ' ' HA3' ' A' ' 14' ' ' GLY . 91.3 m -77.92 -11.23 59.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.751 0.31 . . . . 0.64000000000000001 111.494 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -87.11 -31.95 20.17 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.956 -0.757 . . . . 2.02 108.956 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 19' ' ' ALA . 47.8 t -73.52 139.45 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.806 -1.088 . . . . 0.84999999999999998 109.727 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.2 p -115.95 -31.2 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.86 -0.336 . . . . 1.46 111.819 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -114.89 -177.55 3.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.073 0.463 . . . . 1.8799999999999999 110.716 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.516 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.3 p-10 -66.76 120.6 13.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.207 0.527 . . . . 1.0800000000000001 109.977 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 p -61.16 -23.2 65.38 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.764 -0.653 . . . . 0.98999999999999999 111.779 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.11 12.49 82.37 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.087 -0.577 . . . . 0.88 113.61 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.47 25.05 4.11 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.462 0.912 . . . . 1.05 113.462 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.594 ' O ' HD13 ' A' ' 34' ' ' LEU . 39.2 m -109.04 144.19 37.37 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.916 -0.772 . . . . 0.78000000000000003 108.916 172.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -48.47 -34.32 10.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.182 0.515 . . . . 1.6399999999999999 110.183 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -79.71 -51.14 9.59 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.436 -0.802 . . . . 1.0700000000000001 112.23 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.617 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 14.7 p -74.39 -0.69 18.08 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.87 -0.519 . . . . 0.69999999999999996 112.377 -174.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.8 mp -79.65 -21.73 44.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.384 -0.598 . . . . 1.1399999999999999 109.384 167.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.8 mt -91.23 25.94 2.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.513 -0.767 . . . . 1.4099999999999999 111.299 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 33' ' ' CYS . 13.7 mm100 -79.53 100.0 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.078 0.466 . . . . 3.6400000000000001 109.825 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -80.19 112.47 30.77 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.707 -0.679 . . . . 4.2300000000000004 109.869 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.56 -24.67 48.38 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.722 2.282 . . . . 4.3600000000000003 112.058 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -86.96 62.08 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.307 -0.627 . . . . 7.2199999999999998 109.307 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -80.64 130.82 35.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.641 -0.709 . . . . 6.75 109.948 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 m -122.84 25.69 3.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.914 0.388 . . . . 7.3899999999999997 111.132 -176.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.97 -170.85 2.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.29 -0.414 . . . . 7.54 110.414 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -139.15 69.8 1.37 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.402 0.62 . . . . 6.9900000000000002 109.643 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.31 -124.55 0.98 Allowed Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.446 -0.797 . . . . 4.9500000000000002 111.437 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 6.9 mp 68.05 110.74 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.31 0.576 . . . . 4.4299999999999997 111.913 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -84.3 9.59 12.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 4.8300000000000001 110.837 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 20.2 p -87.13 82.63 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.872 -0.604 . . . . 2.9300000000000002 109.764 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 59.2 mttp -140.97 169.5 17.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.833 -0.621 . . . . 2.7599999999999998 111.047 -177.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.617 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.3 t -53.11 119.27 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.246 -0.888 . . . . 0.56999999999999995 111.271 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.96 3.44 10.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.467 -0.788 . . . . 1.9099999999999999 111.021 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 1.3 mmp_? -98.79 22.25 10.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.49 0.662 . . . . 3.1000000000000001 109.37 171.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.496 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -107.94 -14.06 14.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.047 0.927 . . . . 1.79 108.647 169.257 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -89.06 122.71 32.66 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.997 -1.456 . . . . 2.8999999999999999 109.719 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.423 ' HB3' HG12 ' A' ' 57' ' ' ILE . 21.1 t -50.77 129.81 23.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.676 . . . . 0.68999999999999995 111.807 -177.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.89 -19.21 60.24 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.13 -0.487 . . . . 1.28 110.806 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' O ' HG22 ' A' ' 58' ' ' VAL . 48.9 mtm180 -138.14 67.5 1.41 Allowed 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.144 -1.058 . . . . 3.3799999999999999 108.144 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.427 ' H ' HG13 ' A' ' 57' ' ' ILE . 27.9 mt -50.15 101.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.38 0 O-C-N 124.082 0.864 . . . . 2.0299999999999998 111.521 -175.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 56' ' ' ARG . 15.5 m -138.12 8.5 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.581 -0.736 . . . . 3.5899999999999999 110.915 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.69 45.51 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.4 0.619 . . . . 6.4299999999999997 110.456 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -80.17 66.31 5.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 8.0299999999999994 110.882 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.476 -0.773 . . . . 7.8700000000000001 111.387 178.239 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.235 -0.346 . . . . 17.98 112.235 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.81 -23.08 19.45 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.912 2.408 . . . . 17.34 112.602 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 tp 64.36 -83.29 0.03 OUTLIER 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.704 -0.68 . . . . 17.469999999999999 111.792 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.91 37.0 2.03 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.077 -0.582 . . . . 15.279999999999999 111.854 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m -66.48 -35.51 80.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 13.77 111.051 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -79.3 63.32 3.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.28 0.562 . . . . 12.98 111.137 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.415 ' H ' ' HG2' ' A' ' 7' ' ' GLN . 12.2 pt20 -88.54 54.01 2.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.422 -0.808 . . . . 10.970000000000001 109.739 176.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 8' ' ' ARG . 17.7 ttm-85 -78.14 128.47 33.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.097 -0.956 . . . . 11.6 110.288 -176.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.5 mtt 66.75 108.01 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.731 0.645 . . . . 10.210000000000001 110.454 -175.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -80.33 47.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.998 -0.546 . . . . 6.4100000000000001 111.952 -174.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -86.12 -11.57 52.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.474 0.654 . . . . 9.5199999999999996 109.386 173.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -82.71 -1.34 51.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.305 -0.861 . . . . 8.8900000000000006 110.311 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.2 m -141.41 -174.33 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.435 -0.802 . . . . 4.2400000000000002 109.032 176.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.88 -142.39 5.78 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.225 -0.988 . . . . 2.1499999999999999 112.098 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 23.7 p -58.5 -28.01 65.0 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.234 0.457 . . . . 1.8100000000000001 112.234 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.1 2.88 90.68 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.851 -0.69 . . . . 1.3600000000000001 112.591 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -114.6 -40.14 3.64 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.055 0.391 . . . . 2.6600000000000001 112.055 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -73.97 160.09 31.83 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.762 -0.199 . . . . 1.26 111.274 -172.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.25 -54.56 6.87 Favored 'General case' 0 C--N 1.333 -0.131 0 O-C-N 123.878 0.736 . . . . 0.73999999999999999 111.582 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.07 -34.22 42.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.37 112.401 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.7 m -73.49 -28.1 61.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.716 0.293 . . . . 0.64000000000000001 111.446 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -87.87 -22.57 24.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.249 -0.432 . . . . 2.02 110.316 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 19' ' ' ALA . 61.4 t -72.35 134.65 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.905 -0.589 . . . . 0.84999999999999998 110.141 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 p -107.85 -35.44 6.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.836 0.31 . . . . 1.46 111.836 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -125.42 -178.9 4.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.752 0.31 . . . . 1.8799999999999999 110.715 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -61.78 118.69 7.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.301 0.572 . . . . 1.0800000000000001 110.257 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -62.34 -24.78 67.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.446 -0.797 . . . . 0.98999999999999999 112.464 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 80.91 12.49 82.61 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.923 -0.656 . . . . 0.88 113.61 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.93 12.25 7.22 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.641 0.978 . . . . 1.05 113.641 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.617 ' O ' HD13 ' A' ' 34' ' ' LEU . 13.8 m -108.75 133.9 52.19 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.342 -0.984 . . . . 0.78000000000000003 108.342 173.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 m -51.3 -23.57 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 1.6399999999999999 110.699 174.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.8 m -79.36 -55.2 5.24 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.702 -0.681 . . . . 1.0700000000000001 111.749 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 20.7 p -70.55 -8.47 51.65 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.969 0.414 . . . . 0.69999999999999996 111.511 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.1 mp -78.58 -18.11 55.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 1.1399999999999999 110.728 172.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.45 -64.01 1.24 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.464 -0.335 . . . . 1.4099999999999999 110.342 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 53.14 65.71 1.44 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.848 -0.615 . . . . 3.6400000000000001 110.404 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.28 122.58 82.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.614 -0.721 . . . . 4.2300000000000004 110.514 -177.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 39' ' ' HIS . 55.3 Cg_endo -72.54 109.47 2.77 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.383 2.055 . . . . 4.3600000000000003 111.523 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 38' ' ' PRO . 50.6 t-80 73.94 133.38 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.777 0.673 . . . . 7.2199999999999998 110.807 -177.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -66.04 103.29 0.93 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 6.75 111.181 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.5 t -86.55 -28.33 5.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 7.3899999999999997 109.646 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.03 87.71 2.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.514 -0.767 . . . . 7.54 109.963 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -59.22 114.61 2.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.688 -0.687 . . . . 6.9900000000000002 110.597 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.8 -32.24 2.94 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.84 -0.904 . . . . 4.9500000000000002 110.84 -174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -83.16 111.46 18.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.593 -0.892 . . . . 4.4299999999999997 108.593 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -83.91 93.9 8.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.436 -0.347 . . . . 4.8300000000000001 110.279 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.2 t -84.15 74.98 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.44 0.638 . . . . 2.9300000000000002 110.125 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -142.15 138.29 31.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.183 -0.917 . . . . 2.7599999999999998 110.033 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.3 t -52.94 130.97 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.587 -0.733 . . . . 0.56999999999999995 111.109 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.76 -15.47 53.53 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.815 -0.629 . . . . 1.9099999999999999 111.51 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.538 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -97.0 34.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.439 0.638 . . . . 3.1000000000000001 110.379 177.768 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.661 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -120.55 -30.37 4.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.639 -0.709 . . . . 1.79 109.667 172.242 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -82.87 115.5 21.78 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.899 -1.046 . . . . 2.8999999999999999 109.793 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.62 128.59 26.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.528 -0.76 . . . . 0.68999999999999995 111.421 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD11 ' NH2' ' A' ' 51' ' ' ARG . 3.0 mm? -79.73 -5.19 54.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.164 -0.471 . . . . 1.28 110.963 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 27.1 mtp180 -142.92 67.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.028 -0.533 . . . . 3.3799999999999999 110.214 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -67.75 98.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.157 0.504 . . . . 2.0299999999999998 110.13 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.4 t -94.59 74.42 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.126 -0.694 . . . . 3.5899999999999999 109.126 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -123.88 100.18 6.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.646 -0.706 . . . . 6.4299999999999997 110.24 -176.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -93.38 151.82 19.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.516 -0.765 . . . . 8.0299999999999994 110.733 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.247 0.952 0 N-CA-C 108.884 -0.784 . . . . 7.8700000000000001 108.884 177.853 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.813 -0.515 . . . . 17.98 111.813 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.16 89.49 0.31 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.625 2.216 . . . . 17.34 112.351 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.9 tp -120.03 -27.78 5.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.121 0.486 . . . . 17.469999999999999 110.312 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.639 ' O ' ' HD2' ' A' ' 8' ' ' ARG . . . 96.17 -9.03 67.55 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.729 -0.748 . . . . 15.279999999999999 112.78 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 p -100.89 -48.9 4.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.678 0.275 . . . . 13.77 111.252 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.77 141.23 58.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 12.98 111.384 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 63.22 16.15 9.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.422 -0.808 . . . . 10.970000000000001 111.808 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.639 ' HD2' ' O ' ' A' ' 4' ' ' GLY . 98.9 mtt180 -127.6 107.38 9.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.288 -0.414 . . . . 11.6 109.906 176.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -161.09 -24.53 0.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.593 -0.276 . . . . 10.210000000000001 110.638 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 91.4 m-85 68.93 -61.06 0.43 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.585 0.754 . . . . 6.4100000000000001 111.934 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 70.28 -48.16 0.64 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.753 0.821 . . . . 9.5199999999999996 111.956 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -80.75 -36.04 32.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.032 0.444 . . . . 8.8900000000000006 110.874 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.1 t -93.42 -38.92 10.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.468 0.651 . . . . 4.2400000000000002 110.475 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 10' ' ' PHE . . . 117.22 -136.86 12.95 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.999 -0.84 . . . . 2.1499999999999999 110.999 -176.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -63.31 -29.18 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.927 0.363 . . . . 1.8100000000000001 111.37 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.45 -6.96 74.74 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.231 -0.509 . . . . 1.3600000000000001 113.411 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -113.75 -30.25 6.83 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.053 0.76 . . . . 2.6600000000000001 113.053 -173.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -75.46 166.04 24.19 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.814 -0.355 . . . . 1.26 111.245 -173.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -47.38 -60.45 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.864 0.728 . . . . 0.73999999999999999 111.624 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.84 -33.45 23.81 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.78 0.659 . . . . 0.37 112.78 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.6 m -69.49 -31.68 70.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.64000000000000001 111.268 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -89.62 -17.26 28.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.289 -0.414 . . . . 2.02 110.938 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' ALA . 60.4 t -74.75 128.59 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.514 -0.312 . . . . 0.84999999999999998 110.229 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 p -121.31 -12.61 8.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.224 0.535 . . . . 1.46 110.757 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -120.78 176.95 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 1.8799999999999999 110.48 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.1 p-10 -67.57 110.25 3.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.055 -0.52 . . . . 1.0800000000000001 109.644 171.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 p -59.12 -28.57 66.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.646 -0.706 . . . . 0.98999999999999999 111.977 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.61 13.06 65.8 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.817 -0.706 . . . . 0.88 113.205 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.67 18.5 6.8 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.195 0.813 . . . . 1.05 113.195 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.567 ' O ' HD13 ' A' ' 34' ' ' LEU . 4.6 m -123.27 133.31 54.19 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.729 -0.841 . . . . 0.78000000000000003 108.729 173.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 t -52.57 -19.58 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.049 0.452 . . . . 1.6399999999999999 110.982 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.86 -58.14 3.45 Favored 'General case' 0 N--CA 1.433 -1.306 0 C-N-CA 123.124 0.57 . . . . 1.0700000000000001 111.232 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.4 p -69.59 -15.32 63.19 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.66 0.267 . . . . 0.69999999999999996 111.397 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.1 mp -75.04 -11.02 60.01 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.477 -0.329 . . . . 1.1399999999999999 111.209 176.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -75.99 -23.22 55.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.347 . . . . 1.4099999999999999 110.143 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 54.1 74.85 0.31 Allowed 'General case' 0 N--CA 1.462 0.155 0 O-C-N 123.568 0.543 . . . . 3.6400000000000001 110.236 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 72.4 mt -79.22 112.28 26.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.239 -0.437 . . . . 4.2300000000000004 110.465 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.18 60.11 7.67 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.905 2.403 . . . . 4.3600000000000003 112.368 -176.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -129.55 90.78 3.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.103 -0.499 . . . . 7.2199999999999998 110.914 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.34 -25.68 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.51 -0.922 . . . . 6.75 108.51 171.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -111.45 140.12 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 115.027 -0.988 . . . . 7.3899999999999997 108.931 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 55.98 62.71 2.27 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.304 0.573 . . . . 7.54 110.237 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -108.56 77.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.611 -0.722 . . . . 6.9900000000000002 110.588 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -99.2 -171.37 30.97 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.742 -0.742 . . . . 4.9500000000000002 111.986 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.1 mp 69.19 130.93 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.342 0.657 . . . . 4.4299999999999997 111.86 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -86.72 34.16 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.311 0.576 . . . . 4.8300000000000001 110.618 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.8 m -89.78 22.65 3.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.462 0.649 . . . . 2.9300000000000002 110.013 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -93.65 -172.54 2.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.189 -0.914 . . . . 2.7599999999999998 110.044 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.565 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 46.1 t -45.82 119.19 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.51 0.506 . . . . 0.56999999999999995 111.381 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 41.9 mt-10 -66.28 -20.24 66.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.942 -0.572 . . . . 1.9099999999999999 111.668 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -90.94 35.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.294 0.568 . . . . 3.1000000000000001 110.282 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 mmm-85 -110.15 -30.77 7.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.594 -0.73 . . . . 1.79 109.805 172.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 53' ' ' ARG . 17.5 ptt-85 -81.23 127.11 32.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.164 -0.925 . . . . 2.8999999999999999 109.859 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 48.5 t -53.43 127.31 24.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.912 -0.586 . . . . 0.68999999999999995 111.236 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.34 -20.12 59.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 1.28 110.569 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -110.38 3.01 19.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.251 -0.431 . . . . 3.3799999999999999 110.285 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 58' ' ' VAL . 5.8 mt 39.78 -139.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 114.868 -1.06 . . . . 2.0299999999999998 111.639 -176.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.628 ' H ' HG22 ' A' ' 57' ' ' ILE . 19.0 t -92.59 -4.59 10.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.369 0.605 . . . . 3.5899999999999999 110.249 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -57.46 -56.9 15.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.594 -0.73 . . . . 6.4299999999999997 109.501 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 51.49 54.45 11.03 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.501 -0.772 . . . . 8.0299999999999994 111.133 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.645 -0.707 . . . . 7.8700000000000001 109.099 178.191 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.866 -0.494 . . . . 17.98 111.866 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 32.5 Cg_exo -57.56 -46.04 29.91 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.683 2.255 . . . . 17.34 112.184 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.7 tp -67.21 94.12 0.34 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.089 -0.505 . . . . 17.469999999999999 109.84 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.48 -44.84 1.02 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.966 -0.853 . . . . 15.279999999999999 110.966 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -73.21 -37.27 66.5 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.842 -0.799 . . . . 13.77 108.842 172.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -145.63 -168.97 3.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.667 -1.151 . . . . 12.98 108.352 174.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -70.36 0.26 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.615 -0.513 . . . . 10.970000000000001 109.615 176.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 tpp180 45.33 66.75 0.84 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.358 -0.837 . . . . 11.6 111.705 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.5 tpp -160.6 -48.86 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.357 -0.838 . . . . 10.210000000000001 109.874 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' CG ' ' HA3' ' A' ' 16' ' ' GLY . 70.7 m-85 -80.2 128.99 34.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.532 -0.758 . . . . 6.4100000000000001 110.244 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -154.69 -23.3 0.12 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.229 -0.441 . . . . 9.5199999999999996 110.787 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 6.0 tpm_? -88.38 -31.58 18.79 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.716 -0.476 . . . . 8.8900000000000006 109.716 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -102.51 32.34 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.778 -0.646 . . . . 4.2400000000000002 110.958 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.87 -137.79 27.42 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.88 -0.676 . . . . 2.1499999999999999 112.183 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -29.15 68.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.432 . . . . 1.8100000000000001 111.495 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 72.49 -0.62 41.01 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.932 -0.577 . . . . 1.3600000000000001 113.732 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -108.68 -25.39 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.144 0.472 . . . . 2.6600000000000001 112.067 -176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.5 m -77.91 157.6 29.73 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.653 -0.499 . . . . 1.26 109.653 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -46.29 -62.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.676 0.274 . . . . 0.73999999999999999 111.455 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.43 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.37 111.916 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 53.2 m -75.86 -15.65 60.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.747 0.308 . . . . 0.64000000000000001 111.666 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 48.2 mt-30 -90.29 -17.26 27.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.492 0.663 . . . . 2.02 109.808 172.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 19' ' ' ALA . 60.1 t -77.35 136.28 24.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.308 -0.86 . . . . 0.84999999999999998 109.013 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.443 HG23 ' HG3' ' A' ' 25' ' ' GLU . 9.8 t -132.63 -15.51 2.73 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.716 -0.394 . . . . 1.46 111.847 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' HG3' HG23 ' A' ' 24' ' ' THR . 49.7 mt-10 -132.22 178.33 6.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.772 0.32 . . . . 1.8799999999999999 110.643 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -66.42 109.33 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.838 0.828 . . . . 1.0800000000000001 110.124 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -26.18 68.67 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.972 -1.013 . . . . 0.98999999999999999 112.212 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.68 9.93 84.95 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.868 -0.682 . . . . 0.88 113.836 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.58 34.9 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.476 0.638 . . . . 1.05 111.828 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' O ' HD13 ' A' ' 34' ' ' LEU . 2.7 m -132.81 152.74 51.75 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 119.376 -0.345 . . . . 0.78000000000000003 110.283 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 t -48.71 -49.36 38.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 1.6399999999999999 111.045 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -76.12 -34.89 59.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.981 0.42 . . . . 1.0700000000000001 111.291 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -64.76 -31.76 73.13 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.895 0.379 . . . . 0.69999999999999996 110.857 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.1 mp -78.14 0.54 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 1.1399999999999999 111.929 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.0 mt -77.73 -25.81 49.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.2 -0.296 . . . . 1.4099999999999999 110.2 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 54.14 51.31 14.74 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.085 0.469 . . . . 3.6400000000000001 110.929 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.2 mt -81.95 120.43 77.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.59 -0.732 . . . . 4.2300000000000004 110.676 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.02 -15.71 36.22 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.56 2.174 . . . . 4.3600000000000003 111.893 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -132.25 158.07 42.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.801 -0.815 . . . . 7.2199999999999998 108.801 174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.89 -58.11 3.93 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.57 -0.452 . . . . 6.75 110.379 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 t 48.07 51.06 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-O 121.585 0.707 . . . . 7.3899999999999997 110.51 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.66 35.24 3.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.764 . . . . 7.54 111.189 -177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.8 t -73.13 -49.56 27.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.765 -0.457 . . . . 6.9900000000000002 109.765 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.99 -35.11 3.27 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.998 -0.62 . . . . 4.9500000000000002 111.761 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.75 135.11 35.5 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.153 -0.314 . . . . 4.4299999999999997 110.153 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -85.3 51.46 2.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.936 0.874 . . . . 4.8300000000000001 109.866 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.7 p -88.67 68.45 8.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.165 -0.925 . . . . 2.9300000000000002 111.472 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -133.7 134.08 42.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.475 -0.784 . . . . 2.7599999999999998 109.194 174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t -52.74 135.31 35.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.56999999999999995 111.556 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' C ' ' HE ' ' A' ' 51' ' ' ARG . 20.0 mm-40 -63.88 -17.67 63.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.085 -0.961 . . . . 1.9099999999999999 111.625 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HE ' ' C ' ' A' ' 50' ' ' GLU . 2.3 mmp_? -100.09 16.44 24.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.1 0.476 . . . . 3.1000000000000001 110.639 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 52' ' ' ARG . 1.7 mmp_? -116.83 25.23 10.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.588 0.709 . . . . 1.79 109.521 174.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -148.76 131.54 16.02 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.948 -1.024 . . . . 2.8999999999999999 109.295 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.4 t -53.69 145.84 14.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.804 -0.634 . . . . 0.68999999999999995 111.78 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.1 mm? -80.86 -4.83 56.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.376 -0.829 . . . . 1.28 110.07 -178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -125.3 -47.87 1.73 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.999 -0.546 . . . . 3.3799999999999999 110.532 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 mt -85.34 119.13 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 2.0299999999999998 110.872 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 58' ' ' VAL . 7.7 p -80.63 76.9 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 122.463 1.125 . . . . 3.5899999999999999 109.593 175.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -82.93 -25.8 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.895 -1.048 . . . . 6.4299999999999997 110.428 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -123.22 144.63 49.25 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.9 -0.591 . . . . 8.0299999999999994 109.539 -176.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.59 -0.719 . . . . 7.8700000000000001 109.636 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.658 -0.577 . . . . 17.98 111.658 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.08 142.47 42.22 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.401 2.067 . . . . 17.34 112.206 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.7 109.17 15.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.674 -0.862 . . . . 17.469999999999999 108.674 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.63 64.18 0.23 Allowed Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 111.291 -0.724 . . . . 15.279999999999999 111.291 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -133.57 52.97 2.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.103 0.478 . . . . 13.77 110.128 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.479 ' OE2' ' HD3' ' A' ' 8' ' ' ARG . 9.0 pt-20 -91.14 115.37 27.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.316 0.579 . . . . 12.98 110.532 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -94.93 54.49 1.72 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.58 0.705 . . . . 10.970000000000001 109.185 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.479 ' HD3' ' OE2' ' A' ' 6' ' ' GLU . 12.8 ptt180 -58.24 142.8 46.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.777 -1.101 . . . . 11.6 111.994 -174.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.7 mmm 59.36 82.9 0.14 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.593 -0.73 . . . . 10.210000000000001 110.349 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.458 ' C ' ' H ' ' A' ' 12' ' ' ARG . 89.2 m-85 -78.3 -15.98 58.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.78 -0.646 . . . . 6.4100000000000001 111.884 -173.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 34.6 mmtp 69.39 -10.35 0.56 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.244 0.618 . . . . 9.5199999999999996 111.419 -175.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' H ' ' C ' ' A' ' 10' ' ' PHE . 64.1 mtp180 -149.15 178.32 8.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.608 -0.886 . . . . 8.8900000000000006 108.608 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 m 49.08 -154.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.941 0.896 . . . . 4.2400000000000002 112.799 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.47 158.59 39.74 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.932 -0.651 . . . . 2.1499999999999999 113.839 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -59.76 -30.46 68.88 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.12 0.785 . . . . 1.8100000000000001 113.12 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.54 -5.08 85.59 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.869 -0.681 . . . . 1.3600000000000001 113.249 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -110.49 -34.59 6.27 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.548 0.573 . . . . 2.6600000000000001 112.548 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -76.59 166.76 22.94 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 111.812 0.301 . . . . 1.26 111.812 -172.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -48.28 -55.53 10.35 Favored 'General case' 0 C--O 1.225 -0.228 0 O-C-N 123.718 0.636 . . . . 0.73999999999999999 111.692 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -54.12 -30.34 48.4 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.465 0.542 . . . . 0.37 112.465 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.2 m -77.26 -26.5 52.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.329 -0.396 . . . . 0.64000000000000001 111.517 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -86.78 -29.48 22.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.147 -0.478 . . . . 2.02 110.169 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 19' ' ' ALA . 49.6 t -72.3 134.53 29.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.114 -0.698 . . . . 0.84999999999999998 109.114 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.2 p -108.2 -32.06 7.65 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.936 0.347 . . . . 1.46 111.936 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -127.19 -168.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.208 0.528 . . . . 1.8799999999999999 111.101 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.84 117.96 6.56 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.402 -0.817 . . . . 1.0800000000000001 110.289 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 p -61.9 -26.07 67.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.627 -0.715 . . . . 0.98999999999999999 112.007 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 85.18 12.75 72.88 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.872 -0.68 . . . . 0.88 113.118 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.84 6.24 6.66 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.577 0.955 . . . . 1.05 113.577 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.637 ' O ' HD13 ' A' ' 34' ' ' LEU . 21.0 m -103.86 138.03 41.02 Favored 'General case' 0 CA--C 1.515 -0.393 0 O-C-N 121.499 -0.751 . . . . 0.78000000000000003 109.408 175.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 t -51.75 -26.81 10.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.388 0.613 . . . . 1.6399999999999999 110.0 172.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -80.19 -55.06 5.19 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.36 -0.836 . . . . 1.0700000000000001 112.183 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.573 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 25.8 p -70.06 -9.51 55.62 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.924 -0.485 . . . . 0.69999999999999996 112.006 -175.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.7 mp -79.21 -7.98 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.932 0.345 . . . . 1.1399999999999999 111.932 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.36 -25.56 51.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.821 0.343 . . . . 1.4099999999999999 111.183 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 57.56 25.72 11.92 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.284 -0.871 . . . . 3.6400000000000001 112.543 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD12 ' SG ' ' A' ' 47' ' ' CYS . 72.1 mt -81.93 137.22 46.88 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 116.04 -0.527 . . . . 4.2300000000000004 109.589 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.77 106.77 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.438 2.759 . . . . 4.3600000000000003 112.58 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -118.15 49.45 1.26 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.775 -0.648 . . . . 7.2199999999999998 110.032 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -65.95 -42.16 90.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.092 -0.958 . . . . 6.75 112.033 -173.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -96.41 1.08 10.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.681 0.277 . . . . 7.3899999999999997 111.302 -178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.13 18.21 11.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.759 -0.655 . . . . 7.54 112.14 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.4 m -131.23 156.89 44.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.87 -0.418 . . . . 6.9900000000000002 109.87 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.9 -73.1 1.51 Allowed Glycine 0 C--N 1.329 0.175 0 C-N-CA 120.861 -0.685 . . . . 4.9500000000000002 111.874 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -84.85 90.53 7.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.319 -0.622 . . . . 4.4299999999999997 109.319 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -82.74 38.16 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.319 0.581 . . . . 4.8300000000000001 110.904 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.551 ' SG ' HD12 ' A' ' 37' ' ' LEU . 52.3 m -89.58 45.03 1.24 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.718 0.77 . . . . 2.9300000000000002 109.189 177.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -88.54 135.25 33.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.849 -1.069 . . . . 2.7599999999999998 110.337 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.573 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.4 t -54.48 122.78 11.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.524 -0.762 . . . . 0.56999999999999995 110.071 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 21.2 mt-10 -64.92 -20.09 66.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.371 -0.831 . . . . 1.9099999999999999 111.628 -174.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 23.4 mmt180 -102.8 35.69 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.36 0.6 . . . . 3.1000000000000001 110.681 173.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -112.4 -29.18 7.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.553 -0.749 . . . . 1.79 109.732 168.183 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -81.05 122.27 27.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.217 -0.901 . . . . 2.8999999999999999 109.46 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.0 t -53.14 132.32 38.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.085 -0.961 . . . . 0.68999999999999995 112.092 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.9 mm? -78.05 -4.04 45.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.88 -0.6 . . . . 1.28 110.418 176.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -141.13 58.43 1.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.47 -0.787 . . . . 3.3799999999999999 109.862 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.01 113.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.707 -0.479 . . . . 2.0299999999999998 109.707 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 p -89.03 32.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.821 0.82 . . . . 3.5899999999999999 111.025 -169.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 10.1 pt-20 -72.86 173.52 9.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.627 -0.715 . . . . 6.4299999999999997 109.392 174.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -155.58 133.69 11.48 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.605 -0.438 . . . . 8.0299999999999994 111.001 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.647 -0.692 . . . . 7.8700000000000001 109.583 175.068 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 112.089 -0.404 . . . . 17.98 112.089 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -81.8 60.2 7.47 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.669 2.246 . . . . 17.34 112.513 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -141.98 -173.84 3.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.512 -0.313 . . . . 17.469999999999999 110.158 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.99 -6.92 21.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 15.279999999999999 112.463 176.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -154.36 61.3 0.69 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.448 0.642 . . . . 13.77 109.534 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.29 147.03 49.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.507 -0.769 . . . . 12.98 110.89 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 54.47 71.46 0.52 Allowed 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.469 0.481 . . . . 10.970000000000001 111.237 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 67.02 -176.53 0.2 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.663 -0.698 . . . . 11.6 111.477 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.3 tpt 56.09 59.15 3.87 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.8 0.81 . . . . 10.210000000000001 110.23 -176.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -79.91 92.4 5.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.238 -0.892 . . . . 6.4100000000000001 109.737 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm 67.6 -75.44 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.822 0.849 . . . . 9.5199999999999996 110.204 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -144.74 44.29 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.607 -0.886 . . . . 8.8900000000000006 108.607 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 t 60.83 37.46 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 122.254 1.026 . . . . 4.2400000000000002 109.113 -173.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.29 122.36 0.69 Allowed Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.935 -1.03 . . . . 2.1499999999999999 111.786 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 59' ' ' GLU . 3.3 m -66.61 -17.41 64.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.749 0.309 . . . . 1.8100000000000001 111.522 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 79.89 -5.56 61.7 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.151 -0.547 . . . . 1.3600000000000001 112.46 -176.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -103.6 -46.38 4.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.741 0.305 . . . . 2.6600000000000001 111.105 -177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.64 152.43 40.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.44 -0.345 . . . . 1.26 110.291 -175.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.63 -63.88 0.86 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.644 0.59 . . . . 0.73999999999999999 111.789 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -25.93 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.103 0.478 . . . . 0.37 112.053 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.52 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 73.8 m -81.44 -9.87 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.275 -0.421 . . . . 0.64000000000000001 111.909 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -87.99 -28.84 21.17 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.604 -0.888 . . . . 2.02 108.604 170.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 19' ' ' ALA . 26.1 t -77.1 143.91 12.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.165 -1.38 . . . . 0.84999999999999998 110.153 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.7 m -127.66 -23.88 3.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.021 0.439 . . . . 1.46 110.887 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -120.01 -177.94 3.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.924 0.393 . . . . 1.8799999999999999 110.516 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.474 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.1 p30 -64.59 117.2 7.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.248 0.547 . . . . 1.0800000000000001 110.182 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 p -59.96 -26.24 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.574 -0.739 . . . . 0.98999999999999999 112.338 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.507 ' O ' HD21 ' A' ' 34' ' ' LEU . . . 82.88 15.45 72.75 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.873 -0.68 . . . . 0.88 112.993 -178.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.09 -3.34 8.55 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.823 0.675 . . . . 1.05 112.823 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.516 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 10.8 m -96.69 134.82 39.46 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.379 -0.971 . . . . 0.78000000000000003 108.379 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -50.82 -27.3 7.04 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.544 0.527 . . . . 1.6399999999999999 110.46 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -78.39 -53.75 6.93 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.382 -0.827 . . . . 1.0700000000000001 111.749 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.545 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.5 p -70.42 -13.88 62.32 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.912 -0.493 . . . . 0.69999999999999996 111.463 -176.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 28' ' ' GLY . 88.5 mt -76.75 -11.06 59.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.897 0.379 . . . . 1.1399999999999999 111.259 175.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.7 mt -79.29 -28.08 42.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.592 -0.276 . . . . 1.4099999999999999 110.56 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 54.45 55.23 8.29 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.3 0.375 . . . . 3.6400000000000001 110.992 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -82.41 132.7 51.87 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.296 -0.411 . . . . 4.2300000000000004 110.9 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.19 49.46 3.01 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.827 2.352 . . . . 4.3600000000000003 112.043 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -127.66 26.75 5.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.194 -0.457 . . . . 7.2199999999999998 110.332 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -80.96 72.68 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.066 -0.515 . . . . 6.75 110.379 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 p -101.81 -55.92 5.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.299 -0.41 . . . . 7.3899999999999997 111.351 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 178.01 -71.18 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.816 0.341 . . . . 7.54 110.957 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.2 t -129.11 -170.77 2.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.975 -0.557 . . . . 6.9900000000000002 110.14 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.62 -104.95 2.13 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.972 -0.633 . . . . 4.9500000000000002 111.54 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -88.26 102.09 14.49 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.468 -0.938 . . . . 4.4299999999999997 108.468 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -82.77 -79.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.788 -0.642 . . . . 4.8300000000000001 111.082 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.7 m 54.29 45.09 27.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.462 0.649 . . . . 2.9300000000000002 110.289 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -89.89 157.86 17.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.147 -0.933 . . . . 2.7599999999999998 110.334 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 34.8 t -55.79 123.75 15.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.918 -0.583 . . . . 0.56999999999999995 110.055 171.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 5.5 mm-40 -64.15 -15.18 59.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.007 -0.542 . . . . 1.9099999999999999 111.187 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -94.86 37.33 1.15 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.26 0.553 . . . . 3.1000000000000001 110.53 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.445 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -122.7 -9.44 8.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.537 -0.756 . . . . 1.79 110.682 173.554 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 16.9 ptm180 -87.11 120.31 28.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.6 -0.727 . . . . 2.8999999999999999 110.531 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.478 ' SG ' HG12 ' A' ' 57' ' ' ILE . 42.9 t -53.08 125.39 17.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.823 -0.626 . . . . 0.68999999999999995 111.723 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.7 mm? -80.37 -25.25 39.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 1.28 111.113 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -144.64 79.58 1.61 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.93 -0.767 . . . . 3.3799999999999999 108.93 -172.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.478 HG12 ' SG ' ' A' ' 54' ' ' CYS . 15.4 mt -70.5 72.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.603 0.716 . . . . 2.0299999999999998 111.033 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 p -101.39 2.66 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.071 -0.968 . . . . 3.5899999999999999 109.737 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.537 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 12.1 tp10 -76.29 69.28 2.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.223 -0.899 . . . . 6.4299999999999997 110.354 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -166.92 26.77 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.01 -0.995 . . . . 8.0299999999999994 108.719 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.138 -0.937 . . . . 7.8700000000000001 109.553 -176.254 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.01 -0.436 . . . . 17.98 112.01 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.48 -33.97 66.85 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.985 2.457 . . . . 17.34 112.611 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.34 21.61 7.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.043 0.449 . . . . 17.469999999999999 110.526 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.94 -151.25 19.47 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.868 -0.682 . . . . 15.279999999999999 112.643 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 p -151.13 55.33 0.88 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.485 0.659 . . . . 13.77 109.677 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -77.48 87.3 3.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.312 -0.858 . . . . 12.98 111.533 -174.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -94.63 61.93 2.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.073 -0.714 . . . . 10.970000000000001 109.073 175.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -81.95 113.02 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.752 -0.658 . . . . 11.6 110.927 -174.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.6 mtp 59.06 53.47 5.51 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.745 0.653 . . . . 10.210000000000001 110.459 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' A' ' 13' ' ' VAL . 85.5 m-85 64.16 -87.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.474 -0.785 . . . . 6.4100000000000001 110.414 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 tttp 66.51 -68.02 0.14 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.742 0.645 . . . . 9.5199999999999996 112.742 173.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -85.99 -22.18 27.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.867 0.365 . . . . 8.8900000000000006 110.773 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 12.8 p -140.47 157.8 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.719 -0.673 . . . . 4.2400000000000002 109.52 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.93 -141.38 3.55 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.413 -0.898 . . . . 2.1499999999999999 112.563 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 21.3 p -60.6 -22.19 63.47 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.718 0.636 . . . . 1.8100000000000001 112.718 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.81 3.2 72.93 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.836 -0.697 . . . . 1.3600000000000001 113.129 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.5 -35.03 4.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.325 0.491 . . . . 2.6600000000000001 112.325 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 p -77.94 157.68 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.555 -0.458 . . . . 1.26 110.871 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.87 -53.32 7.68 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.751 0.657 . . . . 0.73999999999999999 112.088 -177.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -53.35 -32.42 49.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.595 0.591 . . . . 0.37 112.595 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.0 m -75.18 -23.65 57.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.765 0.317 . . . . 0.64000000000000001 111.557 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -85.85 -26.28 25.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.411 0.624 . . . . 2.02 109.564 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 19' ' ' ALA . 38.9 t -78.26 149.46 5.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.001 -0.999 . . . . 0.84999999999999998 109.457 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -130.25 -30.12 1.97 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.742 -0.383 . . . . 1.46 111.53 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -117.89 -168.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.006 -0.368 . . . . 1.8799999999999999 110.006 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.41 109.03 0.9 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.197 -0.668 . . . . 1.0800000000000001 109.197 172.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.9 p -58.21 -28.45 64.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.561 -0.745 . . . . 0.98999999999999999 112.422 -175.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 83.35 22.18 57.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.88 112.905 -177.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.2 -6.25 4.86 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.377 0.88 . . . . 1.05 113.377 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.59 ' O ' HD13 ' A' ' 34' ' ' LEU . 8.3 m -98.86 134.55 41.57 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.853 -0.795 . . . . 0.78000000000000003 108.853 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 p -49.36 -29.27 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.469 0.481 . . . . 1.6399999999999999 111.174 176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 47' ' ' CYS . 13.7 m -78.94 -50.62 10.87 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.967 -0.56 . . . . 1.0700000000000001 111.999 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.5 p -70.44 -14.14 62.42 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.658 -0.651 . . . . 0.69999999999999996 111.028 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.3 mp -78.07 -11.2 59.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.228 -0.442 . . . . 1.1399999999999999 111.387 174.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.488 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 81.9 mt -76.71 -48.17 19.68 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.4 -0.222 . . . . 1.4099999999999999 110.4 -178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 57.06 46.11 19.77 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.005 0.431 . . . . 3.6400000000000001 110.974 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' A' ' 35' ' ' LEU . 71.9 mt -83.42 121.15 76.55 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.022 -0.535 . . . . 4.2300000000000004 110.599 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.6 112.37 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.591 2.194 . . . . 4.3600000000000003 111.047 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -151.48 176.67 11.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.999 0.428 . . . . 7.2199999999999998 110.927 -176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -129.97 138.28 50.76 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.614 -0.884 . . . . 6.75 108.614 172.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -74.48 178.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.432 -0.349 . . . . 7.3899999999999997 111.482 -174.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 73.4 -53.05 0.7 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.759 0.824 . . . . 7.54 111.587 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.8 p -67.72 -38.94 84.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 6.9900000000000002 110.703 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.13 157.78 11.51 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.91 -0.662 . . . . 4.9500000000000002 111.746 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mp 65.58 108.8 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.351 0.596 . . . . 4.4299999999999997 111.809 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -81.18 -61.3 1.99 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.678 -0.86 . . . . 4.8300000000000001 108.678 173.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.429 ' HA ' ' CG2' ' A' ' 32' ' ' THR . 60.2 m 53.05 56.77 7.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.402 -0.817 . . . . 2.9300000000000002 111.938 173.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -103.81 140.19 37.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.325 -0.398 . . . . 2.7599999999999998 111.256 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 30.6 t -55.33 114.32 1.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.899 -0.778 . . . . 0.56999999999999995 108.899 167.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.05 -24.07 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 1.9099999999999999 111.354 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 21.8 mmt180 -90.22 28.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.321 0.581 . . . . 3.1000000000000001 110.472 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.493 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -116.95 -10.64 10.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.833 0.825 . . . . 1.79 109.371 168.295 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -92.1 109.94 21.31 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.426 -1.261 . . . . 2.8999999999999999 109.53 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.6 t -50.59 120.24 4.52 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.367 0.417 . . . . 0.68999999999999995 111.291 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.93 -3.21 43.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 1.28 110.858 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 95.6 mtt180 -138.67 64.07 1.5 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.766 -0.457 . . . . 3.3799999999999999 109.766 -176.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.1 95.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.907 -0.588 . . . . 2.0299999999999998 110.283 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.47 67.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.641 0.734 . . . . 3.5899999999999999 110.237 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -87.93 -51.27 5.92 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.778 -0.823 . . . . 6.4299999999999997 108.778 176.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -139.64 14.64 2.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.932 -0.576 . . . . 8.0299999999999994 109.658 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.252 1.22 0 CA-C-N 114.777 -1.102 . . . . 7.8700000000000001 110.608 -177.95 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 111.944 -0.463 . . . . 17.98 111.944 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.33 -24.57 26.94 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.484 2.122 . . . . 17.34 112.264 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 3' ' ' LEU . 1.9 tm? -78.33 106.67 10.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.013 -0.736 . . . . 17.469999999999999 109.013 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.24 -37.84 3.03 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.981 -0.848 . . . . 15.279999999999999 110.981 -174.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 p -87.95 -25.86 22.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.562 0.696 . . . . 13.77 109.626 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 60.4 30.9 20.17 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 114.239 -1.346 . . . . 12.98 111.081 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -143.99 120.37 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.37 -0.832 . . . . 10.970000000000001 110.433 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -113.04 128.07 56.39 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.969 -0.752 . . . . 11.6 108.969 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 61.9 mtt -74.62 -27.93 60.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.02 0.438 . . . . 10.210000000000001 110.193 -174.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' CD1' ' HA3' ' A' ' 16' ' ' GLY . 79.9 m-85 -86.79 114.15 23.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.78 -0.646 . . . . 6.4100000000000001 109.83 172.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -148.17 0.46 0.61 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.332 -0.395 . . . . 9.5199999999999996 110.943 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.3 mtm-85 -90.06 -17.84 27.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.381 -0.97 . . . . 8.8900000000000006 108.381 169.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -137.81 -172.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.918 -1.037 . . . . 4.2400000000000002 109.0 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.76 -111.29 0.21 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.499 -0.858 . . . . 2.1499999999999999 112.993 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.5 p -64.77 -26.57 68.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 1.8100000000000001 111.359 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' HA3' ' CD1' ' A' ' 10' ' ' PHE . . . 78.85 -6.7 54.24 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.892 -0.671 . . . . 1.3600000000000001 113.159 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -108.17 -34.23 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.175 0.435 . . . . 2.6600000000000001 112.175 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 p -77.66 157.83 30.0 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.528 -0.469 . . . . 1.26 110.532 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.56 -57.94 3.31 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.123 0.889 . . . . 0.73999999999999999 112.554 -176.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.11 -32.35 54.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.966 0.728 . . . . 0.37 112.966 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 m -72.69 -23.15 60.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.64000000000000001 111.237 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -86.67 -25.9 24.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.2 0.524 . . . . 2.02 110.018 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 19' ' ' ALA . 21.8 t -75.23 122.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.49 -0.777 . . . . 0.84999999999999998 109.542 176.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -98.79 -26.42 14.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.861 0.362 . . . . 1.46 111.629 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -126.05 -172.08 2.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.066 0.46 . . . . 1.8799999999999999 110.409 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -63.84 116.38 5.73 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.91 -0.774 . . . . 1.0800000000000001 108.91 170.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 p -58.89 -26.47 64.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.028 0.751 . . . . 0.98999999999999999 113.028 -171.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.425 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 80.39 19.25 69.39 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.804 -0.712 . . . . 0.88 112.832 -178.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.63 3.14 5.0 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.206 0.817 . . . . 1.05 113.206 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.63 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 20.4 m -100.28 134.32 43.38 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.558 -0.904 . . . . 0.78000000000000003 108.558 176.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 t -52.94 -22.58 5.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.143 0.497 . . . . 1.6399999999999999 109.815 172.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.3 m -79.48 -55.91 4.7 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.489 -0.778 . . . . 1.0700000000000001 111.983 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.63 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 28.3 p -70.02 -13.03 62.04 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.901 -0.5 . . . . 0.69999999999999996 111.848 -175.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 30' ' ' CYS . 9.1 mp -80.23 -3.79 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.626 -0.261 . . . . 1.1399999999999999 111.399 175.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 96.9 mt -74.98 -53.36 9.08 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.194 -0.299 . . . . 1.4099999999999999 110.194 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 55.43 41.62 30.8 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.057 0.456 . . . . 3.6400000000000001 111.097 176.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HG ' ' HB3' ' A' ' 35' ' ' LEU . 85.7 mt -84.02 129.23 59.58 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.002 -0.544 . . . . 4.2300000000000004 111.258 -177.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.55 140.55 16.97 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.483 2.122 . . . . 4.3600000000000003 111.408 173.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -149.03 139.7 22.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.065 0.459 . . . . 7.2199999999999998 111.64 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -116.41 145.42 43.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.833 -0.621 . . . . 6.75 109.464 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.4 t 54.14 54.0 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 121.602 0.715 . . . . 7.3899999999999997 109.974 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -168.8 60.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.307 -0.86 . . . . 7.54 110.12 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -87.13 124.2 33.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.113 -0.494 . . . . 6.9900000000000002 110.006 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.61 30.38 3.55 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.905 -0.664 . . . . 4.9500000000000002 112.261 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 23.9 mt -81.71 153.91 26.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.724 0.297 . . . . 4.4299999999999997 110.437 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -84.66 35.89 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.939 0.4 . . . . 4.8300000000000001 111.208 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.7 m -99.29 25.76 6.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.518 0.675 . . . . 2.9300000000000002 109.939 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -91.32 138.14 31.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.239 -0.891 . . . . 2.7599999999999998 111.03 -176.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.512 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 44.3 t -52.52 121.24 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.56999999999999995 109.965 172.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.95 0.04 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.977 -0.556 . . . . 1.9099999999999999 111.749 -176.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -102.75 34.1 2.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.919 0.39 . . . . 3.1000000000000001 110.117 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -120.57 -19.97 7.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.557 0.694 . . . . 1.79 110.565 175.309 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -81.03 117.7 21.86 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.886 -1.052 . . . . 2.8999999999999999 110.167 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.5 t -52.22 121.13 6.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.68 -0.691 . . . . 0.68999999999999995 110.95 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -78.71 -2.98 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.209 0.528 . . . . 1.28 110.539 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -139.08 64.15 1.48 Allowed 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.517 -0.92 . . . . 3.3799999999999999 108.517 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.1 mt -63.01 87.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.492 0.663 . . . . 2.0299999999999998 112.247 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -120.77 16.61 6.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.363 -0.835 . . . . 3.5899999999999999 109.038 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -80.87 -21.02 41.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.831 -1.077 . . . . 6.4299999999999997 111.083 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -109.34 171.12 7.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.062 -0.517 . . . . 8.0299999999999994 110.336 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.9 m . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.41 -0.805 . . . . 7.8700000000000001 110.268 179.863 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.903 -0.479 . . . . 17.98 111.903 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.45 117.42 5.14 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.717 2.278 . . . . 17.34 112.332 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.88 173.98 9.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.613 -0.514 . . . . 17.469999999999999 109.613 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.92 -53.85 4.89 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.435 -0.888 . . . . 15.279999999999999 111.538 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 p -96.24 44.51 1.07 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.499 0.666 . . . . 13.77 109.671 173.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -103.05 7.6 38.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.337 -0.847 . . . . 12.98 111.393 -173.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.69 176.42 5.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.304 -0.407 . . . . 10.970000000000001 110.056 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.523 ' H ' ' HD2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -127.06 136.64 52.46 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.118 -0.697 . . . . 11.6 109.118 176.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -78.42 46.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.136 0.421 . . . . 10.210000000000001 112.136 -174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 57.92 20.76 6.98 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.703 0.631 . . . . 6.4100000000000001 112.703 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -87.56 -1.93 58.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.014 0.435 . . . . 9.5199999999999996 110.902 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -97.18 -40.9 8.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 8.8900000000000006 110.167 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -89.49 -15.61 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.074 -0.512 . . . . 4.2400000000000002 110.755 -177.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.5 168.47 24.14 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.726 -0.749 . . . . 2.1499999999999999 112.426 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -61.81 -28.26 69.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.193 0.442 . . . . 1.8100000000000001 112.193 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.38 -10.68 63.26 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.746 -0.74 . . . . 1.3600000000000001 112.949 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -105.67 -32.91 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.608 0.595 . . . . 2.6600000000000001 112.608 -173.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' SG ' HD23 ' A' ' 55' ' ' LEU . 12.2 p -80.08 165.51 22.44 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.61 -0.436 . . . . 1.26 110.998 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.96 -67.51 0.27 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.948 0.78 . . . . 0.73999999999999999 112.773 -176.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.38 -29.14 33.08 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.653 0.612 . . . . 0.37 112.653 -176.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 m -73.22 -32.46 64.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.686 0.254 . . . . 0.64000000000000001 111.686 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -86.84 0.88 54.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.171 0.51 . . . . 2.02 111.161 -176.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 19' ' ' ALA . 31.7 t -80.76 160.73 3.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.606 -0.725 . . . . 0.84999999999999998 109.69 176.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.3 m -124.74 -45.39 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.816 0.341 . . . . 1.46 111.374 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -106.55 170.86 7.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.322 -0.399 . . . . 1.8799999999999999 110.716 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.57 134.79 50.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.333 -0.618 . . . . 1.0800000000000001 109.333 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 p -64.81 -24.4 67.54 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.568 0.581 . . . . 0.98999999999999999 112.568 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.08 18.51 79.37 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 121.141 -0.552 . . . . 0.88 113.604 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.0 19.61 3.78 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.754 1.02 . . . . 1.05 113.754 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.56 ' O ' HD13 ' A' ' 34' ' ' LEU . 22.5 m -111.05 150.86 28.74 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.661 -0.65 . . . . 0.78000000000000003 109.421 174.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -52.09 -32.29 34.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.461 0.648 . . . . 1.6399999999999999 110.155 171.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.27 -56.24 4.82 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.289 -0.868 . . . . 1.0700000000000001 112.342 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.8 p -69.3 -12.55 61.76 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.676 -0.409 . . . . 0.69999999999999996 111.809 -176.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.3 mp -79.35 -4.56 51.5 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.9 0.333 . . . . 1.1399999999999999 111.9 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.1 mt -76.51 -33.27 58.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.236 -0.283 . . . . 1.4099999999999999 110.236 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 54.81 77.32 0.21 Allowed 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.598 0.561 . . . . 3.6400000000000001 111.822 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.73 129.59 67.58 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.912 -0.586 . . . . 4.2300000000000004 110.27 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.99 33.51 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.023 2.482 . . . . 4.3600000000000003 112.552 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -137.59 113.75 10.0 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.473 -0.566 . . . . 7.2199999999999998 109.473 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -102.73 22.86 12.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.799 -0.637 . . . . 6.75 111.568 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.1 t -77.19 -41.84 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.962 -0.384 . . . . 7.3899999999999997 109.962 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 53.81 64.07 1.97 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.942 -0.572 . . . . 7.54 111.925 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 p -106.36 -23.4 12.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.434 0.635 . . . . 6.9900000000000002 109.921 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -148.22 -156.26 7.0 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.208 -0.905 . . . . 4.9500000000000002 110.848 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 62.28 89.74 0.08 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.252 0.548 . . . . 4.4299999999999997 111.157 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -84.02 22.22 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.105 0.478 . . . . 4.8300000000000001 111.198 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.6 p -94.24 35.73 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.043 -0.526 . . . . 2.9300000000000002 110.877 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -93.63 -178.65 4.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 2.7599999999999998 110.922 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 42.2 t -47.07 124.86 6.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.812 -0.631 . . . . 0.56999999999999995 110.814 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.6 -17.8 64.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.9099999999999999 111.267 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -87.62 27.23 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.472 0.654 . . . . 3.1000000000000001 110.176 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -115.44 -13.78 11.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.419 -0.81 . . . . 1.79 109.209 172.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -90.82 126.04 35.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.339 -0.846 . . . . 2.8999999999999999 109.848 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.496 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 45.8 t -50.84 138.3 19.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.135 -0.484 . . . . 0.68999999999999995 110.056 174.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.43 HD23 ' SG ' ' A' ' 18' ' ' CYS . 3.6 mm? -72.24 -30.26 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 1.28 111.164 -173.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -104.04 -3.93 23.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.951 0.405 . . . . 3.3799999999999999 111.138 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.496 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 28.4 mt 42.5 51.99 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.147 -0.933 . . . . 2.0299999999999998 111.357 -173.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.5 p -116.33 135.56 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.716 -0.675 . . . . 3.5899999999999999 109.959 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -109.04 155.24 21.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.807 0.337 . . . . 6.4299999999999997 110.404 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -108.22 35.01 3.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.291 0.567 . . . . 8.0299999999999994 109.804 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.601 -0.727 . . . . 7.8700000000000001 110.226 -179.38 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.453 -0.659 . . . . 17.98 111.453 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.02 -54.66 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.618 2.212 . . . . 17.34 111.99 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.672 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.6 pt? -79.16 150.88 31.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.097 -0.501 . . . . 17.469999999999999 109.987 177.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.52 48.62 2.95 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.735 -0.745 . . . . 15.279999999999999 111.951 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -70.61 91.3 0.79 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.044 0.449 . . . . 13.77 110.375 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -84.46 77.32 10.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.14 -0.482 . . . . 12.98 110.162 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -79.09 88.56 4.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.636 -0.711 . . . . 10.970000000000001 110.346 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -76.43 -12.86 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.901 -0.59 . . . . 11.6 110.708 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.5 mmm 65.7 -164.81 0.24 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.469 -0.787 . . . . 10.210000000000001 111.265 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 63.82 21.88 12.83 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.958 -0.565 . . . . 6.4100000000000001 111.385 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -87.62 -6.48 58.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.112 0.482 . . . . 9.5199999999999996 110.902 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -93.05 -39.84 10.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.146 0.498 . . . . 8.8900000000000006 110.715 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.41 16.45 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.796 -0.638 . . . . 4.2400000000000002 110.64 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.23 -177.06 45.82 Favored Glycine 0 N--CA 1.441 -0.97 0 N-CA-C 110.731 -0.948 . . . . 2.1499999999999999 110.731 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -63.02 -26.93 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.133 0.466 . . . . 1.8100000000000001 111.386 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.37 2.41 73.8 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 121.101 -0.571 . . . . 1.3600000000000001 113.041 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -114.16 -36.19 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.103 0.408 . . . . 2.6600000000000001 112.103 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -77.94 159.57 28.76 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.225 -0.297 . . . . 1.26 111.048 -175.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -47.04 -55.19 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.895 0.747 . . . . 0.73999999999999999 111.727 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -51.35 -35.55 38.96 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.774 0.657 . . . . 0.37 112.774 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.6 m -71.75 -29.95 65.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.64000000000000001 111.169 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -89.25 -21.17 23.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.457 -0.338 . . . . 2.02 111.284 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 19' ' ' ALA . 65.1 t -73.39 129.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.84999999999999998 110.118 178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.2 p -112.95 -25.1 9.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 1.46 111.462 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.44 -177.9 3.27 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.771 -0.455 . . . . 1.8799999999999999 109.771 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -68.36 110.24 4.01 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.853 -0.795 . . . . 1.0800000000000001 108.853 169.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -27.65 67.48 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.201 0.815 . . . . 0.98999999999999999 113.201 -167.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 17.93 73.94 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.782 -0.723 . . . . 0.88 113.667 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.77 31.41 2.51 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.346 0.869 . . . . 1.05 113.346 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.604 ' O ' HD13 ' A' ' 34' ' ' LEU . 8.2 m -131.72 157.13 44.58 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 121.743 -0.598 . . . . 0.78000000000000003 110.379 172.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.6 t -48.23 -48.07 35.39 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 123.424 0.452 . . . . 1.6399999999999999 111.481 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.438 ' HB ' ' OE1' ' A' ' 50' ' ' GLU . 23.4 m -79.48 -43.85 22.4 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.534 0.568 . . . . 1.0700000000000001 112.534 -173.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.581 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 24.4 p -69.27 -12.57 61.78 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.581 -0.7 . . . . 0.69999999999999996 111.539 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.3 mp -77.38 -13.78 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.99 0.424 . . . . 1.1399999999999999 110.819 172.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.8 mt -86.03 15.67 4.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 1.4099999999999999 110.797 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -82.45 78.5 9.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.388 0.614 . . . . 3.6400000000000001 110.131 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 82.8 mt -80.3 128.07 74.2 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.31 -0.859 . . . . 4.2300000000000004 109.673 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 50.9 Cg_exo -54.89 -29.52 64.02 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.543 2.829 . . . . 4.3600000000000003 113.098 -177.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -86.3 135.52 33.5 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.27 -0.641 . . . . 7.2199999999999998 109.27 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.44 80.5 3.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.493 0.663 . . . . 6.75 110.644 -176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.15 -19.1 6.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.417 -0.81 . . . . 7.3899999999999997 110.32 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.35 78.97 6.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.844 -0.616 . . . . 7.54 110.737 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 p -81.63 139.81 34.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.088 -0.506 . . . . 6.9900000000000002 110.423 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.83 -82.32 1.68 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.62 -0.8 . . . . 4.9500000000000002 111.406 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.436 HD13 ' H ' ' A' ' 47' ' ' CYS . 0.8 OUTLIER -85.85 85.44 7.39 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.48 -0.933 . . . . 4.4299999999999997 108.48 174.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -81.9 1.05 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.585 -0.734 . . . . 4.8300000000000001 111.977 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.436 ' H ' HD13 ' A' ' 45' ' ' LEU . 60.2 m 72.3 136.95 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 O-C-N 124.147 0.905 . . . . 2.9300000000000002 112.428 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -140.51 132.19 27.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.643 -0.708 . . . . 2.7599999999999998 110.462 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.581 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 15.3 t -53.36 121.73 8.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.314 -0.857 . . . . 0.56999999999999995 112.007 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' OE1' ' HB ' ' A' ' 32' ' ' THR . 3.4 mp0 -65.28 -17.98 64.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.862 -1.063 . . . . 1.9099999999999999 111.743 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HG3' ' SG ' ' A' ' 30' ' ' CYS . 99.4 mtt180 -96.07 39.95 1.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.256 0.55 . . . . 3.1000000000000001 110.314 176.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -114.61 -34.36 5.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.375 -0.83 . . . . 1.79 109.854 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -76.29 125.51 29.31 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.163 -0.926 . . . . 2.8999999999999999 109.757 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -51.12 123.76 10.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.603 -0.726 . . . . 0.68999999999999995 111.178 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.88 -10.51 59.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 1.28 110.597 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 56' ' ' ARG . 48.5 mtt180 -133.4 55.63 1.89 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.174 -0.466 . . . . 3.3799999999999999 110.087 -177.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.28 109.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 2.0299999999999998 110.862 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.5 ' HA ' ' OG ' ' A' ' 61' ' ' SER . 11.4 t 53.05 58.46 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 121.619 0.723 . . . . 3.5899999999999999 110.919 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -90.78 -47.5 7.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.99 -0.55 . . . . 6.4299999999999997 110.442 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -130.09 28.85 4.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.395 0.617 . . . . 8.0299999999999994 110.39 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.5 ' OG ' ' HA ' ' A' ' 58' ' ' VAL . 8.7 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.437 -0.792 . . . . 7.8700000000000001 110.51 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 112.077 -0.409 . . . . 17.98 112.077 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -71.08 -26.96 20.89 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.436 2.091 . . . . 17.34 112.114 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.5 tp 54.81 68.9 0.79 Allowed 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.367 0.603 . . . . 17.469999999999999 110.153 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.53 128.23 7.37 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.572 -0.74 . . . . 15.279999999999999 112.215 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 p -72.4 137.29 46.42 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.957 -0.386 . . . . 13.77 109.957 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.82 -31.22 72.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.861 -0.609 . . . . 12.98 110.426 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -88.84 126.25 35.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.34 -0.985 . . . . 10.970000000000001 108.34 172.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -100.2 128.75 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.886 0.374 . . . . 11.6 110.73 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 84.1 mtp -78.7 118.85 21.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.629 . . . . 10.210000000000001 111.205 -175.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -148.33 -89.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.357 0.41 . . . . 6.4100000000000001 110.729 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 62.2 mttp 54.21 74.6 0.33 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.603 0.361 . . . . 9.5199999999999996 111.144 -175.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 22.8 mmt180 71.78 -11.65 0.73 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.363 0.665 . . . . 8.8900000000000006 112.002 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.4 t -89.88 142.39 12.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.739 -0.467 . . . . 4.2400000000000002 109.739 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.82 -110.42 1.73 Allowed Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.668 -0.777 . . . . 2.1499999999999999 111.618 176.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -62.5 -27.06 68.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.204 0.446 . . . . 1.8100000000000001 112.204 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.26 -2.29 77.27 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.96 -0.638 . . . . 1.3600000000000001 113.523 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -116.26 -31.05 5.76 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.757 0.651 . . . . 2.6600000000000001 112.757 -175.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -74.85 157.22 35.47 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 120.674 -0.41 . . . . 1.26 110.806 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.22 -56.73 3.9 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 124.025 0.828 . . . . 0.73999999999999999 111.463 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -53.18 -30.73 39.05 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.974 0.731 . . . . 0.37 112.974 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 m -71.75 -31.97 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.64000000000000001 111.011 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -90.54 -21.49 21.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.887 -0.597 . . . . 2.02 111.234 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 19' ' ' ALA . 46.7 t -74.47 133.73 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.97 -0.381 . . . . 0.84999999999999998 109.97 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -105.47 -37.14 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.787 0.327 . . . . 1.46 111.747 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.77 -172.8 2.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.416 -0.356 . . . . 1.8799999999999999 110.463 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.7 p-10 -65.45 125.64 25.77 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.348 -0.612 . . . . 1.0800000000000001 109.348 174.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.2 p -63.89 -26.81 68.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.663 -0.699 . . . . 0.98999999999999999 111.855 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.23 10.85 83.14 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.034 -0.603 . . . . 0.88 113.155 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.15 28.26 4.12 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.356 0.873 . . . . 1.05 113.356 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.606 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 32.8 m -114.89 141.93 47.27 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.194 -1.039 . . . . 0.78000000000000003 108.194 170.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.529 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 13.7 t -51.97 -30.53 25.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.514 -0.551 . . . . 1.6399999999999999 109.514 171.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -77.82 -50.87 11.45 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.629 -0.714 . . . . 1.0700000000000001 112.224 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.606 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 24.8 p -73.03 -5.46 38.99 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.708 -0.62 . . . . 0.69999999999999996 111.597 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.9 mp -83.04 -23.28 33.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.156 0.503 . . . . 1.1399999999999999 109.837 170.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 31' ' ' SER . 82.0 mt -81.34 -56.56 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.594 -0.73 . . . . 1.4099999999999999 109.987 175.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.482 ' OE1' ' HA ' ' A' ' 36' ' ' GLN . 12.3 mm-40 55.5 74.58 0.36 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.588 -0.733 . . . . 3.6400000000000001 110.884 -177.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.0 mt -80.02 120.62 80.33 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.395 -0.594 . . . . 4.2300000000000004 109.395 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -72.89 48.72 1.44 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.206 2.604 . . . . 4.3600000000000003 112.588 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -143.07 24.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.485 -0.561 . . . . 7.2199999999999998 109.485 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -80.84 53.31 1.91 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.596 -0.729 . . . . 6.75 111.103 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.25 155.17 7.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 7.3899999999999997 110.465 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.15 63.07 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.192 0.52 . . . . 7.54 110.804 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -138.41 31.06 2.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.707 -0.679 . . . . 6.9900000000000002 109.673 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.85 20.2 44.4 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.673 -0.775 . . . . 4.9500000000000002 112.451 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.13 88.74 4.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.942 0.401 . . . . 4.4299999999999997 109.945 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.87 38.06 0.74 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.187 -0.46 . . . . 4.8300000000000001 111.353 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.5 p -88.78 61.3 5.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.452 0.644 . . . . 2.9300000000000002 109.629 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -148.2 176.27 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.254 -0.885 . . . . 2.7599999999999998 108.902 -174.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.604 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 53.1 t -51.07 121.64 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.614 0.721 . . . . 0.56999999999999995 111.306 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.484 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 25.4 mt-10 -66.93 -16.26 64.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.869 -1.06 . . . . 1.9099999999999999 111.336 -177.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 25.4 mmm180 -90.6 28.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.417 0.627 . . . . 3.1000000000000001 109.929 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -115.64 -5.8 12.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.981 0.896 . . . . 1.79 109.102 171.098 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -100.43 111.46 23.73 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.264 -1.335 . . . . 2.8999999999999999 109.952 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.8 t -51.45 125.67 15.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 0.68999999999999995 111.174 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.2 -9.85 58.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.28 110.982 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -137.88 67.06 1.43 Allowed 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.052 -0.722 . . . . 3.3799999999999999 109.052 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.93 94.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.143 0.497 . . . . 2.0299999999999998 110.173 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.7 m -123.62 41.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.445 -0.798 . . . . 3.5899999999999999 111.044 -175.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 60' ' ' ARG . 7.4 pt-20 -61.13 -43.82 98.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 6.4299999999999997 110.364 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 67.7 mtm180 -123.64 41.06 3.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.406 -0.361 . . . . 8.0299999999999994 110.161 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.438 -0.791 . . . . 7.8700000000000001 110.546 179.516 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.218 -0.353 . . . . 17.98 112.218 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -71.5 148.42 54.0 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.226 2.617 . . . . 17.34 112.041 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -63.39 144.17 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 17.469999999999999 110.092 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.27 -44.42 3.29 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.746 -0.74 . . . . 15.279999999999999 111.848 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 m -82.53 63.17 6.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.902 0.382 . . . . 13.77 110.34 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -85.65 139.17 31.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 12.98 110.817 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -109.13 100.71 9.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 10.970000000000001 109.759 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -75.49 -30.92 60.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.182 -0.463 . . . . 11.6 110.281 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -79.1 173.75 12.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.821 -0.627 . . . . 10.210000000000001 109.997 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -78.4 -57.54 3.72 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.746 -0.381 . . . . 6.4100000000000001 109.976 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -155.25 -41.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.499 . . . . 9.5199999999999996 110.329 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -147.53 49.74 1.08 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.47 . . . . 8.8900000000000006 109.915 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t 68.89 141.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.263 -0.88 . . . . 4.2400000000000002 110.92 -174.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.23 157.03 27.27 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.424 -0.893 . . . . 2.1499999999999999 112.644 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 19.1 p -61.94 -30.93 71.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.178 0.436 . . . . 1.8100000000000001 112.178 -179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.14 -4.22 85.9 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.717 -0.754 . . . . 1.3600000000000001 113.022 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -110.91 -35.64 5.89 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.474 0.546 . . . . 2.6600000000000001 112.474 -175.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 p -75.46 158.01 33.25 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.791 -0.364 . . . . 1.26 110.836 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.31 -55.61 5.77 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.827 0.705 . . . . 0.73999999999999999 112.177 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.82 22.98 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.033 0.753 . . . . 0.37 113.033 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 m -77.44 -21.69 52.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.64000000000000001 111.672 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -89.71 -28.04 19.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.312 0.577 . . . . 2.02 109.977 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 19' ' ' ALA . 35.2 t -76.48 122.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.438 -0.801 . . . . 0.84999999999999998 109.793 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.9 p -104.07 -14.01 16.07 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.157 0.428 . . . . 1.46 112.157 -175.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -131.44 -172.9 2.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.925 -0.398 . . . . 1.8799999999999999 109.925 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.5 p-10 -63.47 116.66 5.78 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.931 -0.766 . . . . 1.0800000000000001 108.931 171.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -61.31 -23.22 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.741 -0.663 . . . . 0.98999999999999999 112.495 -172.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.427 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 77.38 14.19 82.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.829 -0.701 . . . . 0.88 113.077 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -130.21 22.37 5.24 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.084 0.772 . . . . 1.05 113.084 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' HD13 ' A' ' 34' ' ' LEU . 13.9 m -118.6 136.51 53.84 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.54 -0.911 . . . . 0.78000000000000003 108.54 170.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 m -52.38 -21.48 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.075 0.464 . . . . 1.6399999999999999 110.518 172.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -59.02 2.95 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.696 -0.684 . . . . 1.0700000000000001 111.769 176.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.532 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 31.1 p -69.34 -13.06 62.17 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.15 -0.344 . . . . 0.69999999999999996 111.721 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.6 mp -76.53 -12.3 60.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.007 0.432 . . . . 1.1399999999999999 111.015 174.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.9 mt -76.52 -22.56 54.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.116 -0.698 . . . . 1.4099999999999999 109.116 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 53.56 70.34 0.61 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.959 -0.564 . . . . 3.6400000000000001 110.993 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 78.1 mt -81.91 121.4 79.16 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.441 -0.799 . . . . 4.2300000000000004 109.863 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 31.7 Cg_exo -59.15 -49.73 10.34 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.146 2.564 . . . . 4.3600000000000003 112.619 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -167.65 39.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.08 0.467 . . . . 7.2199999999999998 110.654 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.76 124.59 27.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.853 -0.612 . . . . 6.75 111.772 -175.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -175.99 110.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.583 -0.735 . . . . 7.3899999999999997 109.51 175.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -152.45 109.5 3.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.75 -0.659 . . . . 7.54 110.181 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.6 m 60.41 32.59 20.64 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.465 0.65 . . . . 6.9900000000000002 110.005 -176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.65 -119.0 4.43 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.383 -0.826 . . . . 4.9500000000000002 111.305 -175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 42' ' ' ALA . 4.5 mm? 57.4 57.62 4.3 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.627 0.727 . . . . 4.4299999999999997 110.724 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -84.26 46.81 1.25 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.096 -0.956 . . . . 4.8300000000000001 110.223 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.8 m -87.08 41.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.628 -0.715 . . . . 2.9300000000000002 110.61 -175.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -94.4 -176.82 4.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.726 -0.67 . . . . 2.7599999999999998 110.443 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 41.9 t -52.19 105.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.012 0.434 . . . . 0.56999999999999995 109.847 172.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.86 -27.81 68.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.573 . . . . 1.9099999999999999 111.002 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -88.08 33.57 0.73 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 3.1000000000000001 110.663 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' HG2' ' SG ' ' A' ' 49' ' ' CYS . 20.1 mmm-85 -114.66 -10.63 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.683 0.754 . . . . 1.79 109.114 167.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -81.89 115.35 21.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.521 -1.218 . . . . 2.8999999999999999 109.037 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.489 ' HB3' HG12 ' A' ' 57' ' ' ILE . 48.7 t -52.55 116.41 2.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.68999999999999995 110.141 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.408 ' H ' HD22 ' A' ' 55' ' ' LEU . 2.7 mm? -73.56 -18.12 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 1.28 111.071 -174.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 31.0 mtm-85 -140.45 71.88 1.38 Allowed 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.958 -0.756 . . . . 3.3799999999999999 108.958 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 54' ' ' CYS . 82.1 mt -65.69 92.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.005 -0.543 . . . . 2.0299999999999998 110.731 178.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -113.47 170.9 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.568 -0.742 . . . . 3.5899999999999999 109.849 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 53.89 60.56 3.56 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.272 0.558 . . . . 6.4299999999999997 110.29 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -85.42 52.76 2.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.652 -0.704 . . . . 8.0299999999999994 111.061 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.534 -0.746 . . . . 7.8700000000000001 109.778 179.284 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.966 -0.454 . . . . 17.98 111.966 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.97 106.61 1.55 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.892 2.395 . . . . 17.34 112.269 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.3 mt -123.58 132.87 54.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.098 -0.501 . . . . 17.469999999999999 109.655 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.37 -13.62 28.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.822 -0.704 . . . . 15.279999999999999 112.352 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 m -142.6 70.69 1.33 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.192 0.52 . . . . 13.77 110.424 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' HG3' ' HG3' ' A' ' 7' ' ' GLN . 6.1 pt-20 -107.24 -31.57 8.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.96 -0.564 . . . . 12.98 111.271 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.403 ' HG3' ' HG3' ' A' ' 6' ' ' GLU . 71.7 mt-30 -127.34 156.63 41.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.216 -0.29 . . . . 10.970000000000001 110.216 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 69.81 128.31 0.03 OUTLIER 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.87 0.731 . . . . 11.6 110.876 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 ptp -159.2 178.06 10.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.945 0.402 . . . . 10.210000000000001 111.134 -174.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -143.77 125.25 14.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.512 -0.767 . . . . 6.4100000000000001 109.364 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -154.07 -37.96 0.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.954 0.407 . . . . 9.5199999999999996 110.626 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -89.15 -44.85 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.338 -0.616 . . . . 8.8900000000000006 109.338 173.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 m -100.03 171.22 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.54 -0.754 . . . . 4.2400000000000002 110.184 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.66 -120.76 0.6 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.675 -0.774 . . . . 2.1499999999999999 112.42 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 18.2 p -63.9 -29.87 71.01 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.222 0.452 . . . . 1.8100000000000001 112.222 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.74 -3.94 81.17 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.919 -0.658 . . . . 1.3600000000000001 112.926 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -110.61 -36.7 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.437 0.532 . . . . 2.6600000000000001 112.437 -175.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 p -75.17 157.25 34.89 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.897 -0.321 . . . . 1.26 111.07 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.53 -52.54 10.25 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.848 0.717 . . . . 0.73999999999999999 111.679 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -50.61 -38.44 45.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.796 -0.638 . . . . 0.37 112.087 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 m -72.37 -24.39 61.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.428 -0.351 . . . . 0.64000000000000001 111.728 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -90.14 -20.8 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.957 0.408 . . . . 2.02 110.708 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 19' ' ' ALA . 98.5 t -72.6 -44.74 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.922 -0.581 . . . . 0.84999999999999998 110.692 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.8 p 62.16 -17.02 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.091 1.356 . . . . 1.46 114.277 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 23' ' ' VAL . 31.9 mt-10 -132.48 174.02 10.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.435 -0.209 . . . . 1.8799999999999999 110.435 -175.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.87 105.25 2.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 1.0800000000000001 109.678 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.1 p -62.8 -23.33 67.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.74 -0.664 . . . . 0.98999999999999999 112.774 -172.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.52 10.94 71.7 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 121.189 -0.529 . . . . 0.88 113.59 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.18 28.81 4.71 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.797 0.665 . . . . 1.05 112.797 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 56.8 m -104.3 155.79 18.45 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.931 -0.766 . . . . 0.78000000000000003 108.931 170.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.8 m -49.72 -39.66 37.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.15 0.5 . . . . 1.6399999999999999 110.205 172.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.5 m -80.96 -52.19 7.71 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.982 0.734 . . . . 1.0700000000000001 112.982 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.0 p -68.33 -7.04 27.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.68 -0.637 . . . . 0.69999999999999996 111.628 -173.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.09 -13.79 60.51 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.671 0.272 . . . . 1.1399999999999999 111.22 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.7 -2.78 40.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.636 0.235 . . . . 1.4099999999999999 111.636 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 58.63 79.38 0.22 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.349 0.595 . . . . 3.6400000000000001 110.014 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.544 ' CD1' ' HA ' ' A' ' 48' ' ' LYS . 46.2 mt -80.48 126.69 78.01 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.63 -0.713 . . . . 4.2300000000000004 110.885 -175.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -75.76 154.86 39.28 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.35 2.034 . . . . 4.3600000000000003 111.133 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -84.41 49.43 1.68 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.402 0.62 . . . . 7.2199999999999998 110.11 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -100.25 130.64 46.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.155 -0.929 . . . . 6.75 110.017 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.1 m -77.71 178.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 7.3899999999999997 111.191 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.53 24.21 11.8 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.265 0.555 . . . . 7.54 110.865 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 p -111.68 49.79 0.87 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.681 -0.69 . . . . 6.9900000000000002 110.299 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.91 49.89 3.24 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 115.799 -0.637 . . . . 4.9500000000000002 113.092 -176.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.08 0.65 57.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.643 0.259 . . . . 4.4299999999999997 110.503 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 64.0 20.61 12.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.715 -0.675 . . . . 4.8300000000000001 110.56 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.4 m -94.57 91.05 6.39 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.253 -0.885 . . . . 2.9300000000000002 109.732 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 68.2 mttm -142.6 177.15 8.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.011 -0.54 . . . . 2.7599999999999998 109.805 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 52.0 t -53.36 109.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.172 -0.677 . . . . 0.56999999999999995 109.172 172.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.92 -29.84 68.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.217 -0.901 . . . . 1.9099999999999999 111.795 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 40.9 mmt180 -91.92 33.35 1.05 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.266 0.555 . . . . 3.1000000000000001 110.778 175.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.534 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -118.38 -24.38 6.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.675 0.75 . . . . 1.79 109.573 168.379 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -83.63 111.16 18.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.574 -1.194 . . . . 2.8999999999999999 109.364 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.436 ' HB3' HG12 ' A' ' 57' ' ' ILE . 53.7 t -50.25 126.29 14.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.668 -0.696 . . . . 0.68999999999999995 111.528 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.7 -9.33 58.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 1.28 111.038 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 97.1 mtt180 -139.51 65.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.241 -0.652 . . . . 3.3799999999999999 109.241 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 54' ' ' CYS . 67.2 mt -63.55 93.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 2.0299999999999998 110.632 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.0 p -126.48 135.04 64.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.805 -0.634 . . . . 3.5899999999999999 109.961 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -141.2 52.83 1.56 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.507 0.67 . . . . 6.4299999999999997 110.105 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -77.97 145.59 35.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.513 -0.767 . . . . 8.0299999999999994 109.963 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.7 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.804 -1.094 . . . . 7.8700000000000001 110.209 -175.16 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.765 -0.534 . . . . 17.98 111.765 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.97 -176.67 2.2 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.524 2.149 . . . . 17.34 111.993 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.401 ' HB3' ' HD3' ' A' ' 8' ' ' ARG . 91.1 mt -58.94 -62.38 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.742 0.306 . . . . 17.469999999999999 110.9 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.34 52.75 0.57 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.053 -0.594 . . . . 15.279999999999999 112.028 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m 68.3 -73.55 0.08 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.098 0.559 . . . . 13.77 111.325 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -120.67 -48.59 2.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.716 -0.476 . . . . 12.98 109.716 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -147.72 146.99 29.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.677 -0.692 . . . . 10.970000000000001 110.119 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.59 ' NH1' ' HA ' ' A' ' 22' ' ' GLN . 53.3 mtm180 -82.2 78.33 8.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.017 -0.538 . . . . 11.6 110.711 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 tpt -76.34 -39.51 53.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.411 -0.813 . . . . 10.210000000000001 110.045 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 60.87 -83.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.985 0.803 . . . . 6.4100000000000001 111.759 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 68.67 3.83 4.07 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.44 0.696 . . . . 9.5199999999999996 110.525 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -157.78 148.59 21.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.861 -0.609 . . . . 8.8900000000000006 109.488 177.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t 70.87 -64.75 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 123.682 0.614 . . . . 4.2400000000000002 111.498 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 54' ' ' CYS . . . -120.54 150.09 17.45 Favored Glycine 0 N--CA 1.439 -1.15 0 C-N-CA 120.786 -0.721 . . . . 2.1499999999999999 112.877 -176.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' HB3' HG23 ' A' ' 58' ' ' VAL . 26.8 p -65.41 -29.87 70.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.889 0.376 . . . . 1.8100000000000001 111.101 174.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.4 1.78 85.71 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.84 -0.695 . . . . 1.3600000000000001 112.402 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -120.1 -36.58 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.995 0.739 . . . . 2.6600000000000001 112.995 -172.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -77.38 168.93 19.2 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.542 -0.463 . . . . 1.26 111.119 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.92 -60.85 1.65 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.311 0.856 . . . . 0.73999999999999999 113.311 -174.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.6 -30.39 68.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.972 0.36 . . . . 0.37 111.972 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.9 m -77.92 -13.02 60.02 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.986 0.422 . . . . 0.64000000000000001 111.159 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.59 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 83.2 mm-40 -85.39 -27.96 25.47 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.969 -0.752 . . . . 2.02 108.969 172.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 19' ' ' ALA . 40.3 t -76.99 132.59 32.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.483 -1.235 . . . . 0.84999999999999998 109.927 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.1 p -123.68 -4.57 8.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.817 0.341 . . . . 1.46 111.271 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -136.62 -170.05 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.099 -0.5 . . . . 1.8799999999999999 110.548 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -63.62 110.17 1.92 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.675 -0.693 . . . . 1.0800000000000001 109.775 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.4 p -61.88 -20.06 63.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.565 . . . . 0.98999999999999999 111.479 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.83 18.04 73.66 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 116.101 -0.5 . . . . 0.88 113.104 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.81 -16.78 8.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.768 0.655 . . . . 1.05 112.768 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.9 138.08 34.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.261 -0.644 . . . . 0.78000000000000003 109.261 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 p -51.4 -23.96 4.35 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.46 0.475 . . . . 1.6399999999999999 111.43 174.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.9 -59.66 2.66 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 115.776 -0.647 . . . . 1.0700000000000001 111.361 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.607 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 20.7 p -70.88 -13.7 62.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.356 -0.384 . . . . 0.69999999999999996 111.586 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.48 -7.89 54.51 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.752 0.31 . . . . 1.1399999999999999 111.005 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.3 mt -79.21 3.9 16.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.346 -0.388 . . . . 1.4099999999999999 110.518 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 62.65 50.67 3.39 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.535 -0.757 . . . . 3.6400000000000001 110.276 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 19.1 mt 64.23 116.84 0.02 OUTLIER Pre-proline 0 CA--C 1.529 0.15 0 CA-C-N 115.103 -0.953 . . . . 4.2300000000000004 111.667 -174.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.1 Cg_endo -52.67 121.31 8.93 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.02 2.48 . . . . 4.3600000000000003 112.101 -177.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -94.87 -68.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.131 -0.486 . . . . 7.2199999999999998 110.916 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -82.72 -29.29 29.92 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.849 -0.341 . . . . 6.75 110.481 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.75 21.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.193 0.52 . . . . 7.3899999999999997 110.702 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 38' ' ' PRO . . . -87.03 -13.82 43.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 7.54 110.379 176.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m -80.69 81.57 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 6.9900000000000002 109.537 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.3 -144.54 17.2 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.672 -0.971 . . . . 4.9500000000000002 110.672 -173.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 63.06 -174.07 0.15 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.373 0.606 . . . . 4.4299999999999997 111.764 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -153.82 44.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.858 0.837 . . . . 4.8300000000000001 109.066 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.4 m -89.4 55.01 3.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.47 -0.786 . . . . 2.9300000000000002 110.442 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -96.39 156.35 16.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.364 -0.835 . . . . 2.7599999999999998 111.347 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.607 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 40.3 t -52.89 111.08 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.467 -0.788 . . . . 0.56999999999999995 110.082 173.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 41.9 mt-10 -62.75 -16.3 57.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 1.9099999999999999 111.377 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -93.16 32.6 1.29 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.892 0.377 . . . . 3.1000000000000001 110.763 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 18.8 mmm-85 -115.18 -24.94 8.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.475 0.655 . . . . 1.79 110.338 174.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 12.8 ptm180 -83.49 134.79 34.83 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.943 -1.026 . . . . 2.8999999999999999 110.501 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.454 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . 7.5 t -51.78 126.25 17.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.471 -0.786 . . . . 0.68999999999999995 110.344 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.68 -35.11 65.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.438 -0.346 . . . . 1.28 111.476 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -102.06 -3.73 27.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.309 0.576 . . . . 3.3799999999999999 110.704 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 57' ' ' ILE . 31.4 mt 47.84 39.63 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 114.804 -1.089 . . . . 2.0299999999999998 111.391 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 15' ' ' CYS . 12.2 m -90.83 65.03 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.671 0.748 . . . . 3.5899999999999999 110.456 178.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -86.82 27.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.47 -0.787 . . . . 6.4299999999999997 110.668 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 60.13 39.38 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.616 -0.72 . . . . 8.0299999999999994 110.631 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.481 -0.771 . . . . 7.8700000000000001 109.491 177.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.711 -0.555 . . . . 17.98 111.711 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.46 135.08 19.67 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.47 2.113 . . . . 17.34 112.239 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -91.9 130.14 37.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.06 -0.518 . . . . 17.469999999999999 109.892 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.72 129.84 11.31 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.707 -0.759 . . . . 15.279999999999999 112.232 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 p -110.95 27.02 10.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.252 0.549 . . . . 13.77 110.664 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.51 -51.61 41.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.79 -0.641 . . . . 12.98 109.845 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 47.25 67.53 0.79 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.001 -0.999 . . . . 10.970000000000001 110.585 -177.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -135.82 76.89 1.63 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.187 -0.915 . . . . 11.6 108.948 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.8 tpt -76.39 -24.86 54.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.74 -0.664 . . . . 10.210000000000001 109.949 -176.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -80.65 106.85 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.722 -0.672 . . . . 6.4100000000000001 109.484 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -153.93 -37.57 0.1 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.599 -0.728 . . . . 9.5199999999999996 109.402 -175.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -88.97 -57.78 2.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.364 -0.835 . . . . 8.8900000000000006 109.74 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.99 69.04 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.657 0.742 . . . . 4.2400000000000002 109.486 177.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.86 149.62 6.76 Favored Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.221 -0.899 . . . . 2.1499999999999999 111.544 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 p -67.45 -28.16 67.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.984 0.421 . . . . 1.8100000000000001 111.177 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.1 -4.93 60.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.123 -0.56 . . . . 1.3600000000000001 112.936 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -105.92 -38.01 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.975 0.361 . . . . 2.6600000000000001 111.975 -174.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.65 156.15 27.74 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.6 -0.44 . . . . 1.26 110.869 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.561 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -46.62 -55.25 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.935 0.772 . . . . 0.73999999999999999 112.236 -176.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.29 -37.11 45.66 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.816 0.673 . . . . 0.37 112.816 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.4 m -74.98 -21.81 58.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.758 0.314 . . . . 0.64000000000000001 111.502 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -87.13 -23.01 25.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.984 0.421 . . . . 2.02 110.295 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 19' ' ' ALA . 60.4 t -74.15 131.91 34.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.628 -0.714 . . . . 0.84999999999999998 109.525 175.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 p -111.2 -29.47 7.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.042 0.449 . . . . 1.46 111.684 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -120.85 -175.03 2.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.431 0.634 . . . . 1.8799999999999999 111.471 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -62.49 108.49 1.14 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.177 -0.919 . . . . 1.0800000000000001 110.25 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.5 p -59.2 -26.44 64.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.659 -0.701 . . . . 0.98999999999999999 112.467 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.92 18.07 64.06 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.797 -0.716 . . . . 0.88 113.133 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.4 -0.85 6.29 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.412 0.893 . . . . 1.05 113.412 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.65 ' O ' HD13 ' A' ' 34' ' ' LEU . 10.9 m -101.5 134.32 44.78 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.349 -0.612 . . . . 0.78000000000000003 109.349 178.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 m -50.93 -22.21 2.13 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.986 0.422 . . . . 1.6399999999999999 110.974 173.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -80.24 -56.63 4.08 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.024 -0.535 . . . . 1.0700000000000001 111.595 176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.567 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 23.9 p -70.53 -11.25 60.81 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 122.02 -0.425 . . . . 0.69999999999999996 112.079 -175.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.2 mp -75.17 -9.42 58.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.704 0.288 . . . . 1.1399999999999999 111.423 177.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.4 mt -76.41 -35.29 58.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.423 -0.353 . . . . 1.4099999999999999 110.192 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 51.96 71.35 0.47 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.777 -0.647 . . . . 3.6400000000000001 112.101 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.64 138.22 50.95 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.833 -0.432 . . . . 4.2300000000000004 109.833 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.78 76.92 0.57 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.143 2.562 . . . . 4.3600000000000003 113.084 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 55.86 43.67 27.18 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.882 -0.599 . . . . 7.2199999999999998 111.262 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.06 123.52 20.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.609 -0.723 . . . . 6.75 109.965 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 p -69.59 94.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.815 0.817 . . . . 7.3899999999999997 109.885 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.32 133.52 52.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.462 -0.79 . . . . 7.54 111.089 -175.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.7 m -143.15 -33.55 0.44 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.688 -0.687 . . . . 6.9900000000000002 109.815 175.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.59 -38.92 6.05 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.952 -0.642 . . . . 4.9500000000000002 111.911 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.34 122.49 35.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.037 0.446 . . . . 4.4299999999999997 110.244 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -86.58 65.37 8.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.981 -0.554 . . . . 4.8300000000000001 110.811 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.2 p -92.19 28.2 1.97 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.756 -0.657 . . . . 2.9300000000000002 110.292 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -91.18 150.37 21.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.587 -0.733 . . . . 2.7599999999999998 110.68 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.567 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 15.7 t -53.08 124.56 14.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.285 0.564 . . . . 0.56999999999999995 110.536 174.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.524 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 33.1 mt-10 -64.63 -15.38 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.263 -0.88 . . . . 1.9099999999999999 111.842 -176.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -90.99 30.57 1.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.427 0.632 . . . . 3.1000000000000001 109.927 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.532 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -111.42 -10.23 14.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.181 -0.918 . . . . 1.79 108.576 170.481 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -86.83 112.72 22.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.137 -1.392 . . . . 2.8999999999999999 110.04 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 t -52.7 131.7 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 0.68999999999999995 110.344 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.66 -38.16 62.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 1.28 111.574 -173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -107.28 -1.78 21.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.045 0.45 . . . . 3.3799999999999999 111.318 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 57' ' ' ILE . 28.0 mt 47.73 44.93 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 114.991 -1.004 . . . . 2.0299999999999998 111.259 -178.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.8 t -81.49 69.68 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.716 0.77 . . . . 3.5899999999999999 110.101 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -114.5 19.39 16.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.262 -0.881 . . . . 6.4299999999999997 109.378 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -60.91 109.07 0.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.307 -0.86 . . . . 8.0299999999999994 111.064 -177.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.678 -0.677 . . . . 7.8700000000000001 110.022 177.4 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 112.141 -0.384 . . . . 17.98 112.141 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.09 143.91 61.46 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.535 2.157 . . . . 17.34 112.066 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.8 tp 62.8 54.88 2.19 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.642 0.734 . . . . 17.469999999999999 110.485 -176.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.79 -174.32 46.76 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.573 -0.74 . . . . 15.279999999999999 111.732 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -105.04 -54.23 2.53 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.945 -0.391 . . . . 13.77 109.945 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 55.64 71.53 0.54 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.692 0.62 . . . . 12.98 110.872 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -108.46 -60.62 1.71 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.257 -0.429 . . . . 10.970000000000001 110.324 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 60.46 91.82 0.05 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.811 0.695 . . . . 11.6 111.339 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.2 mtm 67.07 -153.95 0.21 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.568 -0.742 . . . . 10.210000000000001 109.994 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HE2' ' NH2' ' A' ' 52' ' ' ARG . 58.6 m-85 -76.93 135.72 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.119 0.485 . . . . 6.4100000000000001 110.429 177.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 13' ' ' VAL . 53.4 tttp -150.62 105.44 3.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.449 -0.796 . . . . 9.5199999999999996 109.404 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 71.12 -28.38 0.18 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.952 0.901 . . . . 8.8900000000000006 112.017 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.424 ' H ' ' C ' ' A' ' 11' ' ' LYS . 21.0 m -91.47 -1.57 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.018 0.437 . . . . 4.2400000000000002 110.417 174.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.2 78.89 1.53 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.22 -0.752 . . . . 2.1499999999999999 111.22 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -63.81 -27.13 68.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.976 0.417 . . . . 1.8100000000000001 111.427 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.17 8.02 64.33 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.95 -0.568 . . . . 1.3600000000000001 112.723 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -113.6 -41.64 3.59 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.889 -0.183 . . . . 2.6600000000000001 111.215 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -79.87 152.9 29.39 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.033 -0.358 . . . . 1.26 110.033 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.93 -55.51 5.4 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.823 0.702 . . . . 0.73999999999999999 112.239 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.85 -42.47 36.55 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.889 0.7 . . . . 0.37 112.889 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -72.55 -16.16 61.76 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.837 0.31 . . . . 0.64000000000000001 111.837 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -89.18 -19.95 24.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.43 0.634 . . . . 2.02 109.996 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 19' ' ' ALA . 39.1 t -77.07 157.72 5.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.764 -1.107 . . . . 0.84999999999999998 110.242 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.549 HG23 ' HG3' ' A' ' 25' ' ' GLU . 13.4 t -140.75 3.38 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.827 0.346 . . . . 1.46 111.257 175.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.549 ' HG3' HG23 ' A' ' 24' ' ' THR . 21.3 mt-10 -137.59 176.75 8.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.361 -0.381 . . . . 1.8799999999999999 110.397 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -68.08 117.15 9.54 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.596 -0.89 . . . . 1.0800000000000001 108.596 167.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.2 p -59.24 -28.41 66.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.274 0.842 . . . . 0.98999999999999999 113.274 -169.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.543 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 81.71 19.79 65.07 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.457 -0.878 . . . . 0.88 112.922 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.44 -6.95 6.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.027 0.751 . . . . 1.05 113.027 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.57 ' O ' HD13 ' A' ' 34' ' ' LEU . 12.9 m -97.02 130.58 44.32 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.066 -0.716 . . . . 0.78000000000000003 109.066 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.499 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.1 p -52.57 -22.37 4.89 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.329 0.393 . . . . 1.6399999999999999 110.895 173.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.8 m -78.31 -55.86 4.91 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.068 -0.514 . . . . 1.0700000000000001 111.576 174.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.567 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 19.5 p -69.19 -16.11 63.54 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 122.061 -0.4 . . . . 0.69999999999999996 111.447 -175.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.5 mp -77.32 -14.75 59.67 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.805 0.298 . . . . 1.1399999999999999 111.805 176.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 31' ' ' SER . 98.0 mt -78.36 -9.39 59.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.701 0.286 . . . . 1.4099999999999999 111.541 -175.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 59.74 34.22 21.96 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.806 -0.633 . . . . 3.6400000000000001 111.503 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 95.7 mt -80.48 123.34 82.9 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.192 -0.458 . . . . 4.2300000000000004 110.933 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 14.9 Cg_exo -68.29 148.04 73.37 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.738 2.292 . . . . 4.3600000000000003 111.318 174.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -99.19 89.04 4.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.136 0.493 . . . . 7.2199999999999998 109.948 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -90.38 -40.06 12.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.698 -0.683 . . . . 6.75 109.958 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.6 169.74 21.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.72 -0.673 . . . . 7.3899999999999997 110.564 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.21 27.09 5.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.683 -0.689 . . . . 7.54 109.69 175.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.0 t -110.9 126.93 55.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.511 -0.768 . . . . 6.9900000000000002 110.201 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.51 -51.46 2.07 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.892 -0.67 . . . . 4.9500000000000002 112.44 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.4 mt -129.82 164.85 23.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.859 0.361 . . . . 4.4299999999999997 111.136 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -139.62 80.83 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 4.8300000000000001 109.255 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.6 p -86.48 52.77 2.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.78 -0.645 . . . . 2.9300000000000002 111.132 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.49 143.84 25.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.758 -0.656 . . . . 2.7599999999999998 110.95 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.58 130.79 41.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.56999999999999995 109.572 170.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.23 -14.35 60.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 1.9099999999999999 111.96 -174.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -99.59 34.24 2.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.361 0.601 . . . . 3.1000000000000001 110.458 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -118.0 -21.62 8.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.711 -0.677 . . . . 1.79 109.419 172.668 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -89.18 122.62 32.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.366 -0.834 . . . . 2.8999999999999999 109.782 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 37.4 t -53.93 115.53 2.07 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.09 0.244 . . . . 0.68999999999999995 110.654 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.74 -11.65 59.9 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.887 0.375 . . . . 1.28 111.141 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -139.37 67.23 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.654 -0.498 . . . . 3.3799999999999999 109.654 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.06 116.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.468 -0.787 . . . . 2.0299999999999998 111.13 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -95.13 150.44 4.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.724 -0.671 . . . . 3.5899999999999999 109.852 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 62.37 75.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.435 0.636 . . . . 6.4299999999999997 110.259 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -139.45 156.35 47.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.916 -0.583 . . . . 8.0299999999999994 110.662 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.445 -0.788 . . . . 7.8700000000000001 110.114 179.743 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.47 -0.652 . . . . 17.98 111.47 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.7 -5.78 15.14 Favored 'Trans proline' 0 N--CA 1.475 0.398 0 C-N-CA 122.915 2.41 . . . . 17.34 112.566 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.9 pt? -121.99 28.26 7.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.763 -0.653 . . . . 17.469999999999999 109.43 177.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.55 -126.66 7.69 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.579 -0.737 . . . . 15.279999999999999 111.48 -176.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m -125.77 -44.6 1.8 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.29 -0.263 . . . . 13.77 110.29 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 53.72 59.32 4.39 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.375 0.607 . . . . 12.98 111.029 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -98.14 101.94 13.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.465 -0.789 . . . . 10.970000000000001 109.881 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -78.43 -21.49 49.1 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.868 -0.333 . . . . 11.6 110.877 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.0 mtt 53.83 29.97 10.61 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.576 0.75 . . . . 10.210000000000001 113.008 171.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 57.51 27.2 13.69 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.922 0.392 . . . . 6.4100000000000001 111.543 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 96.1 mttt -86.27 8.41 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 9.5199999999999996 110.831 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -149.72 -70.69 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.353 0.596 . . . . 8.8900000000000006 109.78 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.07 137.8 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 4.2400000000000002 109.974 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.47 -126.42 0.82 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.294 -0.955 . . . . 2.1499999999999999 112.949 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -59.58 -33.31 71.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.517 0.562 . . . . 1.8100000000000001 112.517 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.16 0.34 90.16 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.724 -0.75 . . . . 1.3600000000000001 112.977 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -110.71 -37.96 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.066 0.433 . . . . 2.6600000000000001 111.878 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.7 p -76.53 156.78 32.61 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.961 -0.295 . . . . 1.26 110.969 -173.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.48 -57.07 3.28 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 124.061 0.851 . . . . 0.73999999999999999 112.694 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.56 -31.34 64.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.625 0.602 . . . . 0.37 112.625 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.8 m -73.4 -23.29 60.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.64000000000000001 111.124 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -89.18 -28.8 19.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.327 -0.397 . . . . 2.02 110.64 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 19' ' ' ALA . 99.4 t -72.71 132.12 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.84999999999999998 109.895 177.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 p -111.77 -27.85 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.004 0.372 . . . . 1.46 112.004 -176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.04 -176.91 4.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.408 -0.36 . . . . 1.8799999999999999 110.569 -176.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.69 120.66 13.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.532 0.682 . . . . 1.0800000000000001 110.485 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -25.49 67.26 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.388 -0.824 . . . . 0.98999999999999999 111.436 177.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.36 4.88 90.01 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.964 -0.562 . . . . 0.88 114.495 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.59 26.0 4.4 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.951 0.875 . . . . 1.05 112.426 -178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.469 ' O ' HD13 ' A' ' 34' ' ' LEU . 3.8 m -116.68 158.57 23.57 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.431 -0.581 . . . . 0.78000000000000003 109.431 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -48.29 -49.58 33.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.156 0.503 . . . . 1.6399999999999999 110.825 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -33.22 56.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.997 -0.547 . . . . 1.0700000000000001 111.559 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.444 ' HB2' ' H ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -64.65 -27.62 69.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.69999999999999996 111.564 178.244 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.5 mp -78.23 -15.71 58.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.146 0.498 . . . . 1.1399999999999999 110.453 176.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.3 mt -84.49 7.21 20.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.859 -0.61 . . . . 1.4099999999999999 110.085 175.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -79.97 88.02 5.36 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.289 0.566 . . . . 3.6400000000000001 109.942 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.8 mt -80.88 139.4 50.0 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.403 -0.817 . . . . 4.2300000000000004 110.009 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.99 42.17 0.81 Allowed 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.906 2.404 . . . . 4.3600000000000003 112.581 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -170.73 85.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.668 -0.696 . . . . 7.2199999999999998 109.614 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.88 125.92 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.688 -0.687 . . . . 6.75 110.257 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.6 m -85.14 -12.95 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.438 -0.346 . . . . 7.3899999999999997 110.684 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 73.91 -40.33 0.45 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 124.063 0.852 . . . . 7.54 111.754 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 m -80.08 59.56 3.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.121 0.486 . . . . 6.9900000000000002 111.258 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.89 -120.74 6.67 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.744 -0.741 . . . . 4.9500000000000002 112.652 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER 62.27 88.03 0.1 Allowed 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.193 0.597 . . . . 4.4299999999999997 109.513 -175.18 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -76.79 116.44 17.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.555 0.693 . . . . 4.8300000000000001 110.499 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.4 p -147.75 40.39 0.99 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.411 -0.813 . . . . 2.9300000000000002 110.071 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -85.84 107.64 17.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.328 -0.851 . . . . 2.7599999999999998 110.086 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 51' ' ' ARG . 18.4 t -50.41 133.86 24.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.455 -0.793 . . . . 0.56999999999999995 112.26 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.81 -16.94 61.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.199 -0.909 . . . . 1.9099999999999999 111.233 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 26.1 mmm180 -92.12 29.11 1.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.517 . . . . 3.1000000000000001 110.221 177.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -109.81 -17.4 13.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.518 -0.764 . . . . 1.79 109.413 173.267 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 80.2 mtp180 -80.91 127.11 32.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.728 -1.123 . . . . 2.8999999999999999 110.128 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.532 ' HB3' HG12 ' A' ' 57' ' ' ILE . 49.4 t -50.94 117.79 2.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.643 -0.708 . . . . 0.68999999999999995 111.358 -178.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.87 -10.04 59.36 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.273 0.559 . . . . 1.28 110.546 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -140.16 65.45 1.42 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.629 -0.714 . . . . 3.3799999999999999 110.042 -175.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.532 HG12 ' HB3' ' A' ' 54' ' ' CYS . 69.5 mt -71.46 97.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.167 0.508 . . . . 2.0299999999999998 110.189 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.5 p -103.69 56.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.429 1.109 . . . . 3.5899999999999999 109.577 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.59 168.83 17.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.161 -0.927 . . . . 6.4299999999999997 110.597 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -131.28 83.85 2.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.792 -0.447 . . . . 8.0299999999999994 109.792 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.4 -0.809 . . . . 7.8700000000000001 110.45 179.654 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.975 -0.45 . . . . 17.98 111.975 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.13 -22.65 67.32 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.81 2.34 . . . . 17.34 112.62 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.8 mt -75.6 122.6 24.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.347 . . . . 17.469999999999999 110.091 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.91 16.39 56.3 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.639 -0.791 . . . . 15.279999999999999 112.03 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -72.55 -43.19 63.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.493 -0.558 . . . . 13.77 109.493 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -123.2 109.85 14.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.664 -0.698 . . . . 12.98 109.374 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -75.57 107.57 7.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.996 0.426 . . . . 10.970000000000001 110.743 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -64.58 148.71 50.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.685 -0.689 . . . . 11.6 110.395 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.2 tpt 74.78 -10.89 1.12 Allowed 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.717 0.636 . . . . 10.210000000000001 110.924 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 13' ' ' VAL . 64.7 m-85 50.51 72.1 0.37 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.232 0.613 . . . . 6.4100000000000001 112.612 170.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -85.52 118.07 24.81 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.722 -0.473 . . . . 9.5199999999999996 109.722 174.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 59.88 32.3 21.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.915 0.864 . . . . 8.8900000000000006 109.608 -173.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 80.7 t -142.82 145.03 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.236 -0.893 . . . . 4.2400000000000002 109.129 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.62 -158.25 10.09 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.545 -0.836 . . . . 2.1499999999999999 112.014 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.7 p -61.59 -31.64 71.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.738 0.304 . . . . 1.8100000000000001 111.734 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.09 -21.31 42.77 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.038 -0.601 . . . . 1.3600000000000001 113.246 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -103.63 -26.96 12.59 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.659 0.614 . . . . 2.6600000000000001 112.659 -171.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 p -78.36 157.65 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.329 -0.548 . . . . 1.26 110.587 -176.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.97 -56.84 3.67 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 124.076 0.86 . . . . 0.73999999999999999 112.436 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.67 63.86 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.425 0.528 . . . . 0.37 112.425 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.7 m -72.44 -30.38 64.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 0.64000000000000001 111.318 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -88.52 -8.67 54.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.116 0.484 . . . . 2.02 110.239 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 19' ' ' ALA . 95.9 t -76.04 147.58 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.537 -0.756 . . . . 0.84999999999999998 109.516 174.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -109.88 -41.99 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.0 0.37 . . . . 1.46 112.0 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -118.5 -176.96 3.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.799 0.333 . . . . 1.8799999999999999 110.978 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.79 138.02 57.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.14 -0.689 . . . . 1.0800000000000001 109.14 173.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 p -64.67 -21.35 66.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.048 0.759 . . . . 0.98999999999999999 113.048 -173.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.413 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 71.97 18.75 77.91 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.934 -0.65 . . . . 0.88 113.342 -176.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.17 14.9 3.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.791 1.034 . . . . 1.05 113.791 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.591 ' O ' HD13 ' A' ' 34' ' ' LEU . 27.0 m -103.87 140.75 37.24 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.494 -0.928 . . . . 0.78000000000000003 108.494 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.2 p -50.87 -27.63 7.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.406 0.622 . . . . 1.6399999999999999 110.306 172.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -56.75 4.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.445 -0.798 . . . . 1.0700000000000001 111.794 178.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.586 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 21.8 p -69.63 -9.25 53.42 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.125 -0.359 . . . . 0.69999999999999996 111.826 -174.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.8 mp -81.82 -2.08 49.71 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.03 0.381 . . . . 1.1399999999999999 112.03 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.4 mt -75.3 -16.12 60.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.08 0.467 . . . . 1.4099999999999999 111.256 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 59.37 47.97 10.61 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.009 -0.996 . . . . 3.6400000000000001 110.645 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.1 mt -79.34 115.13 50.79 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 4.2300000000000004 110.823 -176.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.23 52.43 4.32 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.897 2.398 . . . . 4.3600000000000003 111.716 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.43 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 18.8 m-70 -124.7 56.52 1.3 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.88 -0.6 . . . . 7.2199999999999998 110.872 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.47 -46.53 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.922 0.391 . . . . 6.75 110.095 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 m -76.68 -29.74 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.232 0.539 . . . . 7.3899999999999997 109.894 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 39' ' ' HIS . . . -104.34 59.59 0.71 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.633 -0.712 . . . . 7.54 109.548 174.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 p -76.83 63.64 2.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.539 -0.755 . . . . 6.9900000000000002 111.874 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.13 -2.94 70.5 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.357 -0.697 . . . . 4.9500000000000002 111.357 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -91.57 105.77 18.0 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.722 -0.473 . . . . 4.4299999999999997 109.722 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -84.33 -4.65 59.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.035 -0.53 . . . . 4.8300000000000001 110.718 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.3 m -89.75 78.91 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.399 -0.593 . . . . 2.9300000000000002 109.399 173.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -98.97 -179.64 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.656 -0.702 . . . . 2.7599999999999998 111.566 -175.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 41.5 t -54.21 129.72 36.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.56999999999999995 110.601 173.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.54 -21.44 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.883 -0.598 . . . . 1.9099999999999999 112.297 -177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -93.98 24.23 4.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.349 0.595 . . . . 3.1000000000000001 110.676 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -113.84 -11.24 12.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.818 0.818 . . . . 1.79 108.988 172.446 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -87.66 114.01 23.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.504 -1.226 . . . . 2.8999999999999999 109.859 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.3 t -50.57 128.76 21.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 0.68999999999999995 111.318 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.93 -4.86 49.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.28 110.847 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.473 ' HB3' ' HB2' ' A' ' 59' ' ' GLU . 94.1 mtt180 -138.21 61.43 1.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.368 -0.378 . . . . 3.3799999999999999 110.019 -176.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.468 HG22 HG23 ' A' ' 58' ' ' VAL . 69.3 mt -67.18 114.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.09 -0.504 . . . . 2.0299999999999998 110.596 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.468 HG23 HG22 ' A' ' 57' ' ' ILE . 17.4 t 58.4 63.75 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 121.645 0.735 . . . . 3.5899999999999999 110.179 -176.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 56' ' ' ARG . 10.5 tp10 -101.2 106.4 17.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.413 -0.812 . . . . 6.4299999999999997 110.5 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -70.94 102.32 2.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.062 0.458 . . . . 8.0299999999999994 109.786 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.695 -0.669 . . . . 7.8700000000000001 110.593 -176.713 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.562 -0.615 . . . . 17.98 111.562 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.63 -40.78 62.15 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.897 2.398 . . . . 17.34 112.428 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.9 mt -106.58 89.38 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.378 -0.373 . . . . 17.469999999999999 110.208 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.81 -53.36 11.74 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.761 -0.733 . . . . 15.279999999999999 111.337 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 m -86.0 94.59 9.26 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.869 -0.419 . . . . 13.77 109.869 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -100.12 23.79 9.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.037 0.446 . . . . 12.98 111.586 -175.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -104.82 45.72 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.628 0.728 . . . . 10.970000000000001 109.625 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -108.73 73.81 0.88 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.524 -0.762 . . . . 11.6 109.969 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.418 ' HG2' ' CD2' ' A' ' 10' ' ' PHE . 57.7 ttp -76.14 125.75 29.73 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.407 -0.59 . . . . 10.210000000000001 109.407 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD2' ' HG2' ' A' ' 9' ' ' MET . 70.7 m-85 66.7 84.4 0.16 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 124.009 0.818 . . . . 6.4100000000000001 110.577 -174.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -150.79 -35.21 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.153 -0.476 . . . . 9.5199999999999996 110.63 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -82.64 -17.97 42.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.112 0.482 . . . . 8.8900000000000006 109.972 178.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 p -93.34 -18.52 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.669 -0.696 . . . . 4.2400000000000002 109.801 172.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.86 -146.09 16.4 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.811 -0.709 . . . . 2.1499999999999999 112.45 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 18.5 p -63.07 -31.73 72.94 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.045 0.757 . . . . 1.8100000000000001 113.045 -177.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' A' ' 10' ' ' PHE . . . 85.2 -4.55 85.38 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.643 -0.789 . . . . 1.3600000000000001 113.398 -176.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -116.16 -22.61 8.83 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 117.506 0.653 . . . . 2.6600000000000001 112.737 -175.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -81.92 160.82 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.524 -0.471 . . . . 1.26 110.338 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.82 -57.26 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.836 0.71 . . . . 0.73999999999999999 111.959 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.58 -34.01 35.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.423 0.527 . . . . 0.37 112.423 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 m -72.73 -26.09 61.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.016 0.376 . . . . 0.64000000000000001 112.016 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -91.56 -13.68 31.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.145 0.498 . . . . 2.02 110.717 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 19' ' ' ALA . 95.9 t -74.56 139.64 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.741 -0.663 . . . . 0.84999999999999998 110.756 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.2 p -101.99 -42.65 6.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.39 -0.368 . . . . 1.46 111.3 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -121.04 142.89 49.39 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.642 -0.503 . . . . 1.8799999999999999 109.642 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.53 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -67.19 157.44 33.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.238 0.542 . . . . 1.0800000000000001 110.218 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -28.32 69.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.206 -0.907 . . . . 0.98999999999999999 113.049 -170.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.96 8.05 46.79 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 114.347 0.499 . . . . 0.88 114.347 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.23 -2.95 3.92 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.364 1.246 . . . . 1.05 114.364 -174.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.491 ' O ' HD13 ' A' ' 34' ' ' LEU . 15.0 p -102.29 143.97 31.38 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 118.944 0.793 . . . . 0.78000000000000003 110.081 -176.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -48.97 -22.31 0.84 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.184 0.928 . . . . 1.6399999999999999 113.14 -170.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.4 m -75.57 -57.14 4.06 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.206 -0.197 . . . . 1.0700000000000001 111.191 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.4 p -71.04 -13.21 61.91 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.976 0.417 . . . . 0.69999999999999996 111.319 -178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.1 mp -78.95 -0.03 29.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 1.1399999999999999 111.317 177.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.12 -30.1 60.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.632 -0.507 . . . . 1.4099999999999999 109.632 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 54.78 51.38 13.86 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.4 0.437 . . . . 3.6400000000000001 111.127 172.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.23 129.78 62.35 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.867 -0.606 . . . . 4.2300000000000004 110.274 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -65.61 -25.38 54.68 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.794 2.329 . . . . 4.3600000000000003 112.274 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -104.05 105.3 15.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 7.2199999999999998 110.224 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -74.72 107.79 7.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.252 -0.431 . . . . 6.75 110.076 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.6 m -101.1 120.63 50.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.245 0.545 . . . . 7.3899999999999997 110.823 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.86 -13.26 10.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.621 -0.718 . . . . 7.54 111.206 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 m -110.19 50.25 0.81 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.791 0.805 . . . . 6.9900000000000002 109.055 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 45' ' ' LEU . . . 143.82 135.71 3.01 Favored Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 110.106 -1.198 . . . . 4.9500000000000002 110.106 -174.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 4.5 mm? 67.27 177.86 0.24 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.038 0.447 . . . . 4.4299999999999997 110.692 -175.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -148.34 71.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.083 -0.508 . . . . 4.8300000000000001 109.704 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.9 p -94.13 13.57 22.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.795 -0.638 . . . . 2.9300000000000002 110.58 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -87.76 138.92 31.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.455 -0.793 . . . . 2.7599999999999998 110.996 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.587 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 53.2 t -48.08 141.94 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.423 -0.808 . . . . 0.56999999999999995 110.704 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.7 -22.04 61.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.847 -0.615 . . . . 1.9099999999999999 111.443 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HB3' HG21 ' A' ' 23' ' ' VAL . 25.7 mmt180 -97.02 21.59 9.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.094 0.473 . . . . 3.1000000000000001 110.879 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.653 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -125.35 -35.38 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.474 . . . . 1.79 110.647 176.632 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -81.45 118.11 22.43 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.893 -0.594 . . . . 2.8999999999999999 110.461 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.7 t -54.29 125.21 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.748 -0.66 . . . . 0.68999999999999995 111.046 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -78.45 -3.04 41.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.491 . . . . 1.28 111.168 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 97.4 mtt180 -142.12 68.87 1.32 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.554 -0.536 . . . . 3.3799999999999999 109.554 -176.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.7 mt -66.32 90.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.287 0.565 . . . . 2.0299999999999998 110.51 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 m -92.3 76.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.859 0.838 . . . . 3.5899999999999999 111.41 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -87.86 13.8 10.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.649 -0.705 . . . . 6.4299999999999997 110.547 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 69.15 10.8 8.03 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.544 -0.753 . . . . 8.0299999999999994 111.384 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.116 -0.945 . . . . 7.8700000000000001 111.373 178.712 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.512 -0.635 . . . . 17.98 111.512 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.8 70.41 4.32 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 123.146 2.564 . . . . 17.34 112.428 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.87 119.59 12.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.323 -0.399 . . . . 17.469999999999999 110.456 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.45 1.08 64.49 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.895 -0.669 . . . . 15.279999999999999 111.863 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -123.27 105.36 9.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.803 0.335 . . . . 13.77 110.586 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -68.38 97.0 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.949 -0.569 . . . . 12.98 109.559 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -138.34 76.61 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 10.970000000000001 111.117 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' A' ' 8' ' ' ARG . 19.1 tpt180 -81.8 -27.17 33.82 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.88 -0.785 . . . . 11.6 108.88 173.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.7 mtt -78.16 150.59 33.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.288 -0.869 . . . . 10.210000000000001 109.502 171.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.539 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 66.7 m-85 55.38 63.58 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.586 0.554 . . . . 6.4100000000000001 111.239 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -84.89 -28.21 26.13 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.06 -0.718 . . . . 9.5199999999999996 109.06 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -143.96 147.75 34.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.047 -0.979 . . . . 8.8900000000000006 109.071 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t 60.89 66.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.637 0.732 . . . . 4.2400000000000002 110.069 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.539 ' O ' ' HB3' ' A' ' 10' ' ' PHE . . . 124.3 114.84 2.1 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.555 -0.748 . . . . 2.1499999999999999 111.579 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -68.64 -20.95 64.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.845 0.355 . . . . 1.8100000000000001 110.958 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.521 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 101.26 -31.39 8.72 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.794 -0.717 . . . . 1.3600000000000001 113.966 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -106.47 -12.3 15.67 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.323 0.86 . . . . 2.6600000000000001 113.323 -171.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -81.28 150.25 28.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.669 -0.493 . . . . 1.26 109.669 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -47.13 -63.81 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.73999999999999999 110.812 178.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -55.96 -32.44 63.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.588 -0.733 . . . . 0.37 112.494 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.521 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 33.8 m -78.92 -9.73 59.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.124 0.416 . . . . 0.64000000000000001 112.124 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 48.0 mt-30 -94.38 -31.59 13.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.39 0.614 . . . . 2.02 109.474 172.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 19' ' ' ALA . 42.3 t -76.76 141.0 16.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.84999999999999998 109.988 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.3 t -136.09 5.59 3.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.469 0.652 . . . . 1.46 110.518 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -120.79 156.74 31.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.448 -0.796 . . . . 1.8799999999999999 109.662 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.13 106.83 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.004 -0.739 . . . . 1.0800000000000001 109.004 170.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.3 p -57.08 -24.79 56.45 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.256 0.836 . . . . 0.98999999999999999 113.256 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 77.37 19.27 76.85 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.582 -0.818 . . . . 0.88 113.005 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.93 2.23 5.96 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.188 0.81 . . . . 1.05 113.188 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.615 ' O ' HD13 ' A' ' 34' ' ' LEU . 14.0 m -103.43 135.08 45.71 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.72 -0.845 . . . . 0.78000000000000003 108.72 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 m -51.59 -21.39 2.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.989 0.424 . . . . 1.6399999999999999 110.649 172.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.4 m -82.14 -55.93 4.25 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.802 -0.635 . . . . 1.0700000000000001 112.295 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.568 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 29.8 p -68.22 -13.65 62.4 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.796 -0.565 . . . . 0.69999999999999996 111.966 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.6 mp -78.67 -11.84 59.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 1.1399999999999999 110.957 175.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.34 8.01 20.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 1.4099999999999999 111.426 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -82.19 60.0 4.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.441 0.639 . . . . 3.6400000000000001 110.202 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.3 mt -82.69 145.3 50.35 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.249 -0.887 . . . . 4.2300000000000004 110.163 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.13 23.35 0.58 Allowed 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.842 2.362 . . . . 4.3600000000000003 112.788 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -142.77 42.38 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.29 -0.414 . . . . 7.2199999999999998 110.176 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.65 121.46 17.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.435 0.636 . . . . 6.75 109.974 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.01 -15.42 10.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.755 -0.657 . . . . 7.3899999999999997 110.743 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.45 118.32 23.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.257 -0.429 . . . . 7.54 110.612 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.1 p -69.75 113.49 7.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 6.9900000000000002 110.351 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.39 22.96 25.49 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.762 -0.732 . . . . 4.9500000000000002 111.906 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.14 114.68 3.57 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.522 -0.547 . . . . 4.4299999999999997 109.522 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -79.75 112.07 16.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.198 -0.456 . . . . 4.8300000000000001 110.213 -176.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.5 p -140.53 34.58 1.84 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.377 0.608 . . . . 2.9300000000000002 110.801 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -86.84 124.1 32.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.856 -0.611 . . . . 2.7599999999999998 110.772 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 52.9 t -52.2 125.8 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.327 -0.852 . . . . 0.56999999999999995 111.047 178.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.476 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 30.9 mt-10 -66.52 -18.35 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.143 -0.935 . . . . 1.9099999999999999 111.346 -177.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 51' ' ' ARG . 26.2 mtm180 -103.72 33.74 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.343 0.592 . . . . 3.1000000000000001 110.369 172.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -115.44 -23.55 8.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.304 -0.862 . . . . 1.79 109.577 168.432 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -84.34 120.04 25.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.513 -1.221 . . . . 2.8999999999999999 110.238 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB3' HG12 ' A' ' 57' ' ' ILE . 53.2 t -54.59 130.4 39.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.172 0.51 . . . . 0.68999999999999995 111.516 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.27 -25.69 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.527 -0.761 . . . . 1.28 111.232 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.0 ptt85 -142.42 72.46 1.38 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.802 0.81 . . . . 3.3799999999999999 110.19 -175.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.403 HG12 ' HB3' ' A' ' 54' ' ' CYS . 70.2 mt -60.0 129.33 22.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.847 -1.07 . . . . 2.0299999999999998 111.276 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.1 m -104.65 -7.72 9.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.377 0.608 . . . . 3.5899999999999999 111.023 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -105.86 83.75 1.96 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.475 -0.784 . . . . 6.4299999999999997 109.836 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -127.59 137.4 52.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.412 -0.358 . . . . 8.0299999999999994 110.54 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.588 -0.72 . . . . 7.8700000000000001 110.084 -179.34 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.003 -0.439 . . . . 17.98 112.003 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.98 -14.07 29.16 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.787 2.325 . . . . 17.34 113.188 -178.127 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.72 128.4 36.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.957 0.408 . . . . 17.469999999999999 110.668 -179.117 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.34 178.63 24.51 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.847 -0.615 . . . . 15.279999999999999 111.712 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 m -75.49 94.56 3.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.028 0.442 . . . . 13.77 110.207 178.209 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.12 158.78 20.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.096 -0.502 . . . . 12.98 110.991 -177.581 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.526 ' NE2' HH12 ' A' ' 60' ' ' ARG . 3.7 pt20 -138.44 154.04 48.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.803 -0.635 . . . . 10.970000000000001 110.287 176.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -83.56 52.1 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.977 -0.556 . . . . 11.6 110.653 177.596 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 65.38 -84.4 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.188 -0.915 . . . . 10.210000000000001 111.586 -178.34 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -150.52 -170.93 3.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.155 -0.313 . . . . 6.4100000000000001 110.155 -177.016 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -83.64 -59.92 2.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.153 0.502 . . . . 9.5199999999999996 109.896 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -134.24 44.77 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.571 -0.74 . . . . 8.8900000000000006 109.179 179.221 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.587 ' HB ' ' NH2' ' A' ' 52' ' ' ARG . 45.6 t 59.97 80.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.517 -0.765 . . . . 4.2400000000000002 110.329 -174.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 136.03 144.03 4.8 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.469 -0.787 . . . . 2.1499999999999999 112.376 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 16' ' ' GLY . 22.6 p -67.81 -59.99 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.598 0.237 . . . . 1.8100000000000001 110.887 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.475 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . 161.3 -32.31 0.36 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.664 -0.779 . . . . 1.3600000000000001 113.835 177.768 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -104.18 -13.17 16.31 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.266 1.21 . . . . 2.6600000000000001 114.266 -169.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 m -80.9 158.98 25.11 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.181 -0.608 . . . . 1.26 109.627 178.734 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -48.43 -61.23 2.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.73999999999999999 110.643 175.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.14 -41.2 26.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.567 -0.742 . . . . 0.37 112.312 174.125 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.9 m -77.89 -9.49 59.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.95 -0.568 . . . . 0.64000000000000001 112.027 -176.319 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -87.74 -26.46 22.9 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.151 -0.685 . . . . 2.02 109.151 170.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 19' ' ' ALA . 53.5 t -77.13 139.21 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.659 -1.155 . . . . 0.84999999999999998 110.72 -178.206 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -121.55 -20.81 6.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.415 -0.357 . . . . 1.46 111.765 -178.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -133.42 -170.08 2.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.061 0.458 . . . . 1.8799999999999999 110.764 -177.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -65.56 112.3 3.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.64 -0.709 . . . . 1.0800000000000001 109.622 171.64 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.441 ' SG ' HG11 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -63.79 -30.59 71.66 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.831 -0.622 . . . . 0.98999999999999999 110.837 -179.602 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.01 6.07 82.56 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.723 -0.671 . . . . 0.88 113.951 174.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.01 31.97 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.541 0.671 . . . . 1.05 111.942 -178.479 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.2 m -124.35 155.43 38.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 119.411 -0.328 . . . . 0.78000000000000003 110.259 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -46.9 -50.82 18.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.969 0.414 . . . . 1.6399999999999999 111.21 178.358 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.431 ' HB ' ' HA ' ' A' ' 49' ' ' CYS . 7.7 m -77.05 -31.03 55.89 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.209 -0.451 . . . . 1.0700000000000001 111.267 -179.493 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.2 m -68.45 -28.15 66.8 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.848 0.314 . . . . 0.69999999999999996 111.848 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.7 mp -76.38 -13.29 60.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.8 0.333 . . . . 1.1399999999999999 110.78 179.326 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.4 mt -83.19 -8.65 59.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.14 -0.482 . . . . 1.4099999999999999 110.07 175.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -84.48 79.9 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.913 -0.585 . . . . 3.6400000000000001 110.017 -177.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 70.8 mt -80.64 135.48 52.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.707 -0.679 . . . . 4.2300000000000004 110.461 -178.41 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 54.3 Cg_exo -51.6 -65.71 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.38 2.72 . . . . 4.3600000000000003 114.647 -171.19 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -144.31 -0.62 0.97 Allowed 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.504 0.557 . . . . 7.2199999999999998 112.504 -173.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -89.62 13.95 12.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.768 0.318 . . . . 6.75 111.768 -172.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.1 m -121.13 117.59 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.121 0.486 . . . . 7.3899999999999997 110.549 175.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.55 57.83 3.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.145 -0.48 . . . . 7.54 110.64 -178.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -156.35 155.8 32.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.06 -0.518 . . . . 6.9900000000000002 109.891 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.55 64.64 3.79 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.985 -0.626 . . . . 4.9500000000000002 112.193 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -80.75 102.34 9.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.696 -0.483 . . . . 4.4299999999999997 109.696 -178.291 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -89.7 -82.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.295 -0.411 . . . . 4.8300000000000001 109.954 175.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.6 m 58.26 109.68 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.236 0.541 . . . . 2.9300000000000002 111.494 -177.566 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -82.68 125.0 30.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.207 0.527 . . . . 2.7599999999999998 111.074 -176.575 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.431 ' HA ' ' HB ' ' A' ' 32' ' ' THR . 1.5 t -56.0 134.61 52.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.256 -0.884 . . . . 0.56999999999999995 111.112 176.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.11 -22.23 66.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.286 -0.87 . . . . 1.9099999999999999 111.171 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -96.27 37.86 1.23 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.058 -0.519 . . . . 3.1000000000000001 109.895 178.647 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.587 ' NH2' ' HB ' ' A' ' 13' ' ' VAL . 17.6 mmm-85 -122.85 -24.72 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.382 0.611 . . . . 1.79 110.812 174.208 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -79.54 132.77 36.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.304 -0.862 . . . . 2.8999999999999999 110.345 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.491 ' HB3' HG12 ' A' ' 57' ' ' ILE . 42.8 t -55.03 107.68 0.33 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.68999999999999995 110.596 177.116 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.65 -15.55 59.78 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.171 0.51 . . . . 1.28 110.743 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -139.95 73.34 1.42 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.719 -0.845 . . . . 3.3799999999999999 108.719 -175.586 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.491 HG12 ' HB3' ' A' ' 54' ' ' CYS . 20.8 mt -71.28 77.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.765 -0.652 . . . . 2.0299999999999998 110.635 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.9 m -74.4 0.81 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 3.5899999999999999 111.43 -178.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.15 -35.37 31.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.554 -0.748 . . . . 6.4299999999999997 109.636 175.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.526 HH12 ' NE2' ' A' ' 7' ' ' GLN . 28.0 ttp-105 -179.04 95.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.737 -0.665 . . . . 8.0299999999999994 110.256 -178.088 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.253 1.257 0 CA-C-O 118.755 -0.641 . . . . 7.8700000000000001 109.843 175.399 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.838 -0.505 . . . . 17.98 111.838 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.68 54.31 4.39 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.333 2.689 . . . . 17.34 112.255 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.9 tp -81.55 102.88 10.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.882 -0.599 . . . . 17.469999999999999 110.269 -179.258 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.2 -27.99 35.13 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.695 -0.764 . . . . 15.279999999999999 111.633 178.18 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.8 p 48.64 73.41 0.22 Allowed 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.542 0.737 . . . . 13.77 111.721 179.434 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 63.49 66.03 0.72 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.598 -0.728 . . . . 12.98 111.233 177.542 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.43 -21.84 61.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.921 -0.582 . . . . 10.970000000000001 110.436 178.421 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -115.03 93.3 4.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.469 0.652 . . . . 11.6 110.132 175.032 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.464 ' SD ' ' HA3' ' A' ' 14' ' ' GLY . 13.0 tpt -158.81 129.65 6.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.325 -0.852 . . . . 10.210000000000001 109.929 -176.446 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -83.99 -160.13 0.43 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.674 -0.694 . . . . 6.4100000000000001 110.399 -179.629 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -82.01 -44.93 16.01 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 121.005 -0.278 . . . . 9.5199999999999996 110.663 -178.51 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -148.86 -16.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.521 -0.308 . . . . 8.8900000000000006 111.805 179.171 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -90.73 10.66 2.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.317 0.579 . . . . 4.2400000000000002 111.308 -178.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.464 ' HA3' ' SD ' ' A' ' 9' ' ' MET . . . -85.13 70.38 3.12 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.351 -0.928 . . . . 2.1499999999999999 111.913 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -66.94 -33.81 76.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 1.8100000000000001 110.754 -178.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.57 1.89 67.31 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.799 -0.637 . . . . 1.3600000000000001 113.169 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -113.19 -37.25 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.146 0.424 . . . . 2.6600000000000001 112.146 -175.718 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 p -77.48 158.86 29.75 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.688 -0.405 . . . . 1.26 110.861 -174.221 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.689 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.67 -58.27 3.15 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 124.151 0.907 . . . . 0.73999999999999999 111.968 -177.171 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . . . -51.2 -41.01 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.991 0.737 . . . . 0.37 112.991 -177.37 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.1 m -73.12 -20.3 60.96 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.012 0.434 . . . . 0.64000000000000001 111.127 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -89.21 -31.54 17.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 2.02 110.571 178.506 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 19' ' ' ALA . 19.5 t -76.64 144.25 11.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.84999999999999998 110.46 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -108.34 -25.18 11.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.771 0.32 . . . . 1.46 111.772 -179.407 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.442 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 30.7 mt-10 -108.45 157.82 18.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.3 0.571 . . . . 1.8799999999999999 111.391 -175.421 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.5 p-10 -69.96 142.63 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.662 -0.699 . . . . 1.0800000000000001 110.172 175.348 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 p -64.58 -22.17 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.958 0.725 . . . . 0.98999999999999999 112.958 -173.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.99 21.03 80.17 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 121.047 -0.597 . . . . 0.88 113.455 -177.17 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.07 15.25 4.22 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.377 0.88 . . . . 1.05 113.377 179.208 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.565 ' O ' HD13 ' A' ' 34' ' ' LEU . 14.3 m -109.76 141.51 42.28 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.858 -0.794 . . . . 0.78000000000000003 108.858 174.129 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -50.08 -25.71 3.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.019 0.438 . . . . 1.6399999999999999 110.682 173.046 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -57.64 3.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.81 -0.632 . . . . 1.0700000000000001 111.868 177.319 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 31.8 p -69.6 -14.69 62.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.897 -0.321 . . . . 0.69999999999999996 111.723 -175.499 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.5 mp -74.66 -12.06 60.34 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.687 -0.233 . . . . 1.1399999999999999 111.519 175.317 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 95.2 mt -76.94 -28.38 55.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.599 -0.273 . . . . 1.4099999999999999 110.468 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 49.26 66.32 1.14 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.087 0.47 . . . . 3.6400000000000001 111.574 177.136 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.74 122.09 78.14 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.104 -0.498 . . . . 4.2300000000000004 110.216 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.58 41.79 1.2 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.76 2.306 . . . . 4.3600000000000003 112.303 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -139.23 159.15 42.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 7.2199999999999998 110.17 -178.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -109.51 31.73 5.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.933 -0.576 . . . . 6.75 110.763 -177.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.6 t -83.26 108.74 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.684 -0.689 . . . . 7.3899999999999997 110.221 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.29 -9.95 14.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.983 0.42 . . . . 7.54 110.86 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.0 m -82.56 117.83 22.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.624 -0.509 . . . . 6.9900000000000002 109.624 177.414 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.81 -52.43 4.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.907 -0.663 . . . . 4.9500000000000002 111.96 -176.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -87.17 84.19 7.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.141 0.496 . . . . 4.4299999999999997 110.431 179.096 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -84.7 41.45 0.85 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.939 -0.573 . . . . 4.8300000000000001 109.906 177.385 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.6 m -89.25 79.48 7.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.746 -0.661 . . . . 2.9300000000000002 110.144 -177.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -137.94 160.04 40.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.696 -0.684 . . . . 2.7599999999999998 110.62 -179.179 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 42.2 t -53.11 110.96 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.067 -0.969 . . . . 0.56999999999999995 110.425 176.244 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -64.1 -12.54 40.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.067 0.46 . . . . 1.9099999999999999 111.671 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -86.99 -1.73 58.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.041 -0.527 . . . . 3.1000000000000001 111.005 178.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' NH1' HG11 ' A' ' 23' ' ' VAL . 11.4 mmp_? -103.22 0.8 32.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.594 0.711 . . . . 1.79 109.403 176.82 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' O ' HD22 ' A' ' 55' ' ' LEU . 69.4 mtp180 -80.16 126.81 31.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.873 -1.058 . . . . 2.8999999999999999 108.255 170.422 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.8 t -44.68 116.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.184 0.928 . . . . 0.68999999999999995 112.029 -174.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 3.7 mm? -75.22 -23.39 57.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.602 -0.726 . . . . 1.28 110.635 -179.019 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -129.03 67.23 1.42 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.778 -0.646 . . . . 3.3799999999999999 109.467 -177.757 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.32 94.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.562 -0.744 . . . . 2.0299999999999998 109.797 174.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -120.7 112.16 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.717 -0.674 . . . . 3.5899999999999999 110.857 -178.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -137.86 113.88 9.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.415 -0.811 . . . . 6.4299999999999997 109.1 175.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -111.77 125.77 54.35 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.237 0.542 . . . . 8.0299999999999994 110.869 -178.44 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.636 -0.711 . . . . 7.8700000000000001 109.487 -179.562 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.77 -0.532 . . . . 17.98 111.77 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.86 48.61 2.0 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 123.298 2.666 . . . . 17.34 112.716 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.4 tp -82.6 69.05 9.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.576 0.703 . . . . 17.469999999999999 109.618 178.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.59 -122.74 7.43 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.132 -0.787 . . . . 15.279999999999999 111.132 -175.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 57.07 59.29 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.228 0.537 . . . . 13.77 110.304 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -85.49 -36.11 20.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.178 -0.464 . . . . 12.98 110.055 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 65.63 -77.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.253 -0.885 . . . . 10.970000000000001 111.933 178.698 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -148.17 160.44 42.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.231 -0.44 . . . . 11.6 109.914 -174.694 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.9 mtm -154.27 150.61 28.2 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.227 -0.657 . . . . 10.210000000000001 109.227 178.366 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -83.85 119.37 24.78 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.364 -0.38 . . . . 6.4100000000000001 110.163 179.652 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -145.64 -52.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.095 -0.502 . . . . 9.5199999999999996 110.462 -174.342 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -108.81 -25.06 10.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.789 0.328 . . . . 8.8900000000000006 110.558 175.466 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -140.71 175.38 6.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 4.2400000000000002 109.751 178.449 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.27 -154.84 24.6 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.219 -0.991 . . . . 2.1499999999999999 113.254 178.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' C ' ' H ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -70.62 75.49 0.58 Allowed 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 123.822 0.849 . . . . 1.8100000000000001 110.329 178.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 21' ' ' CYS . . . -59.79 39.27 0.03 OUTLIER Glycine 0 CA--C 1.526 0.739 0 O-C-N 124.901 1.375 . . . . 1.3600000000000001 115.352 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 15' ' ' CYS . 35.1 mt-10 -114.43 -17.99 11.62 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.708 -0.479 . . . . 2.6600000000000001 109.708 170.872 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.7 m -81.48 152.52 27.3 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.389 -0.597 . . . . 1.26 109.389 176.544 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.74 -64.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.33 0.394 . . . . 0.73999999999999999 111.757 -179.329 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.35 -34.9 72.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.37 111.907 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HB3' ' HA2' ' A' ' 16' ' ' GLY . 61.7 m -73.81 -18.47 60.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.359 -0.382 . . . . 0.64000000000000001 111.537 -179.382 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 78.6 mt-30 -83.28 -29.1 28.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.489 0.661 . . . . 2.02 109.486 174.467 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 19' ' ' ALA . 59.9 t -73.22 143.1 14.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 114.854 -1.066 . . . . 0.84999999999999998 109.151 178.072 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.481 HG23 ' HG3' ' A' ' 25' ' ' GLU . 7.3 t -129.84 -9.56 4.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.995 0.426 . . . . 1.46 111.44 -177.072 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 24' ' ' THR . 47.2 mt-10 -124.73 178.39 5.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.779 0.323 . . . . 1.8799999999999999 110.433 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.66 111.81 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.071 -0.513 . . . . 1.0800000000000001 110.005 175.184 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -60.99 -22.73 64.78 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.102 -0.499 . . . . 0.98999999999999999 112.035 -177.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.92 12.26 84.59 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.953 -0.642 . . . . 0.88 112.976 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.48 8.9 10.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.701 0.63 . . . . 1.05 112.701 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 12.4 m -107.57 140.59 40.33 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.312 -0.995 . . . . 0.78000000000000003 108.312 173.249 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -51.14 -30.42 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.139 0.495 . . . . 1.6399999999999999 110.256 175.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -76.72 -54.74 6.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.581 -0.736 . . . . 1.0700000000000001 111.479 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 15.8 p -72.32 -4.76 31.71 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.953 -0.299 . . . . 0.69999999999999996 111.739 -175.454 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 mt -77.35 -1.92 32.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.823 0.344 . . . . 1.1399999999999999 111.336 177.069 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.445 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 92.1 mt -76.32 -49.24 17.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.41 . . . . 1.4099999999999999 110.088 177.309 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 50.68 51.53 16.74 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.307 0.575 . . . . 3.6400000000000001 110.622 176.222 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 35' ' ' LEU . 32.2 mt -81.94 121.84 79.46 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 4.2300000000000004 111.247 -172.463 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 14.0 Cg_exo -68.79 -58.75 0.11 Allowed 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 123.001 2.467 . . . . 4.3600000000000003 111.203 173.316 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -152.81 22.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.488 0.661 . . . . 7.2199999999999998 109.404 176.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' O ' HD13 ' A' ' 37' ' ' LEU . 17.2 t70 -91.55 109.41 20.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.581 -0.736 . . . . 6.75 110.005 -178.732 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 m -120.95 106.06 17.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 7.3899999999999997 111.554 -178.295 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.96 -32.77 74.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.775 -0.648 . . . . 7.54 110.019 176.73 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.1 t -143.95 -47.14 0.27 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.442 -0.799 . . . . 6.9900000000000002 109.301 175.186 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.19 169.4 36.75 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.348 -0.701 . . . . 4.9500000000000002 111.348 178.149 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.57 94.41 6.38 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.469 -0.567 . . . . 4.4299999999999997 109.469 179.019 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -152.46 92.6 1.7 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.351 0.596 . . . . 4.8300000000000001 109.473 176.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.9 p -138.78 86.66 2.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.426 -0.806 . . . . 2.9300000000000002 110.234 -175.464 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -89.53 112.61 23.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.483 0.659 . . . . 2.7599999999999998 111.743 -175.185 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 33.8 t -54.58 123.89 14.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.982 -1.008 . . . . 0.56999999999999995 109.894 171.452 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.98 -15.34 63.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.028 0.442 . . . . 1.9099999999999999 110.866 -178.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -96.29 29.59 2.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.235 0.54 . . . . 3.1000000000000001 109.866 176.525 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -119.01 -45.51 2.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.502 -0.772 . . . . 1.79 110.078 173.537 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 53' ' ' ARG . 13.8 ptm180 -77.14 140.5 40.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.47 -0.786 . . . . 2.8999999999999999 109.924 176.211 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 57' ' ' ILE . 11.9 t -51.84 150.13 4.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.31 -0.859 . . . . 0.68999999999999995 111.958 -176.43 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.62 -63.53 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.514 -0.767 . . . . 1.28 110.605 -177.578 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -101.81 -3.72 27.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.005 0.431 . . . . 3.3799999999999999 110.89 -178.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.49 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 69.2 mt 55.45 71.85 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 115.095 -0.957 . . . . 2.0299999999999998 110.549 -175.009 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 m -82.76 78.04 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.629 0.728 . . . . 3.5899999999999999 111.226 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -74.61 -17.6 60.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.461 -0.791 . . . . 6.4299999999999997 109.885 177.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 67.55 35.45 4.15 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 114.491 -1.232 . . . . 8.0299999999999994 110.765 179.049 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 C--O 1.254 1.309 0 CA-C-O 118.216 -0.897 . . . . 7.8700000000000001 110.0 178.143 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.963 -0.455 . . . . 17.98 111.963 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.45 146.5 89.65 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.853 2.369 . . . . 17.34 112.093 177.57 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.47 32.59 20.57 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.866 -0.606 . . . . 17.469999999999999 110.389 -178.184 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.67 -32.45 4.79 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.835 -0.698 . . . . 15.279999999999999 112.39 -178.349 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -131.9 43.11 3.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.25 0.548 . . . . 13.77 110.351 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -97.0 107.38 19.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.706 -0.679 . . . . 12.98 109.695 177.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -69.82 122.28 18.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 10.970000000000001 109.972 -179.683 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 4.8 mmp_? -108.52 -174.74 2.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.142 -0.481 . . . . 11.6 110.491 -178.202 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.5 ttt -158.38 127.92 5.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.139 -0.482 . . . . 10.210000000000001 110.046 -178.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 99.2 m-85 -78.23 87.27 4.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.027 -0.533 . . . . 6.4100000000000001 109.732 177.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -85.8 22.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.527 -0.76 . . . . 9.5199999999999996 110.553 -178.519 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -143.39 -132.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.553 -0.906 . . . . 8.8900000000000006 108.553 177.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.2 t 56.88 35.09 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 121.928 0.87 . . . . 4.2400000000000002 110.38 176.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.08 -42.69 1.45 Allowed Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.477 -0.783 . . . . 2.1499999999999999 112.228 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 9.0 p -172.39 -32.64 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.002 0.371 . . . . 1.8100000000000001 112.002 179.381 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 10' ' ' PHE . . . 80.02 -9.63 45.18 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 121.004 -0.617 . . . . 1.3600000000000001 113.582 -178.037 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -105.16 -31.21 9.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.125 0.462 . . . . 2.6600000000000001 111.939 -173.588 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 p -76.07 147.38 38.7 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.355 -0.538 . . . . 1.26 109.645 -177.615 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.53 -47.32 14.32 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.611 0.569 . . . . 0.73999999999999999 111.235 -177.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.61 -35.66 61.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.651 -0.704 . . . . 0.37 112.682 -177.12 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.1 m -69.95 -29.78 66.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 0.64000000000000001 111.297 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -96.55 -8.95 30.6 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.062 -0.517 . . . . 2.02 111.568 -177.174 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 19' ' ' ALA . 68.9 t -74.96 125.48 34.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.999 -0.371 . . . . 0.84999999999999998 109.999 176.805 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -111.92 -14.19 13.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.934 0.397 . . . . 1.46 111.298 -178.465 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.54 153.78 24.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.198 -0.455 . . . . 1.8799999999999999 110.649 -176.74 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -66.61 113.06 4.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.333 -0.988 . . . . 1.0800000000000001 108.333 168.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 p -59.23 -23.27 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.735 -0.666 . . . . 0.98999999999999999 112.654 -171.201 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.37 16.3 80.69 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.943 -0.646 . . . . 0.88 113.295 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.39 31.62 3.44 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.661 0.615 . . . . 1.05 112.661 178.801 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.556 ' O ' HD13 ' A' ' 34' ' ' LEU . 27.0 m -122.22 141.97 50.92 Favored 'General case' 0 CA--C 1.515 -0.365 0 N-CA-C 108.669 -0.863 . . . . 0.78000000000000003 108.669 170.088 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.485 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 24.2 t -51.51 -24.3 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.02 0.438 . . . . 1.6399999999999999 110.389 173.114 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -56.91 3.75 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.724 -0.671 . . . . 1.0700000000000001 112.244 178.452 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 21.6 p -72.37 -6.03 40.52 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.935 0.346 . . . . 0.69999999999999996 111.935 -175.704 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.6 mp -79.44 -27.91 41.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.28 0.562 . . . . 1.1399999999999999 110.028 171.091 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 31' ' ' SER . 71.3 mt -81.57 -47.89 12.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.715 -0.675 . . . . 1.4099999999999999 110.404 179.507 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 58.84 94.46 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.437 0.637 . . . . 3.6400000000000001 111.276 -179.295 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.1 mt -80.37 131.03 63.11 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.614 -0.721 . . . . 4.2300000000000004 110.468 -177.577 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.75 142.82 40.31 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.532 2.155 . . . . 4.3600000000000003 111.819 179.141 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.1 m80 62.12 35.98 15.43 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.383 0.611 . . . . 7.2199999999999998 110.473 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 12.5 p-10 -76.83 -5.43 48.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.188 -0.914 . . . . 6.75 110.583 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.46 139.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.418 -0.81 . . . . 7.3899999999999997 110.042 176.569 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 68.2 44.92 1.33 Allowed 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.704 0.627 . . . . 7.54 110.872 -178.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 t 60.81 54.22 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.358 -0.837 . . . . 6.9900000000000002 111.27 177.332 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 45' ' ' LEU . . . -78.89 99.83 1.69 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.483 -0.865 . . . . 4.9500000000000002 111.248 175.404 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 4.6 mm? 69.35 137.12 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.201 0.524 . . . . 4.4299999999999997 110.884 -175.183 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -82.65 58.55 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.8 0.81 . . . . 4.8300000000000001 110.035 176.602 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.9 m -146.3 98.34 3.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.792 -1.094 . . . . 2.9300000000000002 109.063 179.427 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -142.6 171.96 13.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.394 -0.366 . . . . 2.7599999999999998 110.564 -175.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 54.0 t -49.8 126.17 13.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.143 -0.48 . . . . 0.56999999999999995 110.239 176.33 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 40.2 mt-10 -69.23 1.49 3.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 1.9099999999999999 111.57 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 51' ' ' ARG . 40.9 mmt-85 -104.4 15.41 28.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.073 0.463 . . . . 3.1000000000000001 110.037 173.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.543 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -116.34 -17.36 10.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.446 0.641 . . . . 1.79 110.095 174.655 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 16.2 ptm180 -85.71 119.27 25.86 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.938 -1.028 . . . . 2.8999999999999999 109.779 176.108 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 45.3 t -53.24 117.44 3.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.063 0.459 . . . . 0.68999999999999995 110.993 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.33 -2.17 48.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 1.28 111.163 -178.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 29.5 mtp180 -144.46 69.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 3.3799999999999999 109.508 178.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.0 mt -69.43 80.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.215 0.531 . . . . 2.0299999999999998 110.423 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.84 -4.01 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.992 -0.549 . . . . 3.5899999999999999 110.986 -178.725 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -93.64 -55.95 3.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.563 -0.744 . . . . 6.4299999999999997 109.96 174.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -91.81 170.81 9.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.694 . . . . 8.0299999999999994 110.174 -178.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.838 -0.601 . . . . 7.8700000000000001 110.593 -179.213 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.791 -0.524 . . . . 17.98 111.791 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -80.99 50.74 3.67 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.767 2.311 . . . . 17.34 112.048 179.165 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 tp -69.97 110.83 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 17.469999999999999 110.302 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.16 -107.89 0.66 Allowed Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.737 -0.665 . . . . 15.279999999999999 111.855 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 m 69.5 -62.07 0.42 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.297 0.639 . . . . 13.77 111.357 -178.553 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -84.73 97.15 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 12.98 109.984 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -81.22 -11.22 59.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.766 -0.652 . . . . 10.970000000000001 110.442 -179.54 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -88.95 16.22 7.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.915 -0.584 . . . . 11.6 110.374 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.3 ttt -76.04 -41.47 50.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.592 -0.731 . . . . 10.210000000000001 109.199 175.746 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.525 ' HA ' ' H ' ' A' ' 14' ' ' GLY . 90.2 m-85 -87.68 73.24 9.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.38 -0.827 . . . . 6.4100000000000001 110.664 179.097 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -82.92 -29.92 28.8 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.066 -0.716 . . . . 9.5199999999999996 109.066 176.263 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -146.85 50.81 1.11 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.844 -1.071 . . . . 8.8900000000000006 108.493 175.412 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.803 HG11 HG23 ' A' ' 57' ' ' ILE . 19.9 t 59.93 53.27 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 114.574 -1.194 . . . . 4.2400000000000002 110.5 -176.229 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.525 ' H ' ' HA ' ' A' ' 10' ' ' PHE . . . -76.91 76.83 1.55 Allowed Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.541 -0.754 . . . . 2.1499999999999999 112.279 178.768 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.58 -18.47 62.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.067 0.395 . . . . 1.8100000000000001 112.067 178.59 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.592 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 78.49 -5.26 56.96 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.993 -0.623 . . . . 1.3600000000000001 113.692 -177.81 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -109.75 -31.05 7.59 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 117.398 0.599 . . . . 2.6600000000000001 112.314 -175.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.2 m -75.66 157.66 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.337 -0.616 . . . . 1.26 109.337 -179.831 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.87 -65.82 0.48 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.293 0.371 . . . . 0.73999999999999999 111.846 -179.227 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.24 68.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.156 0.503 . . . . 0.37 111.761 178.094 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.592 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 49.2 m -77.09 -17.78 58.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.162 -0.472 . . . . 0.64000000000000001 111.895 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 77.4 mt-30 -87.58 -23.9 24.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.303 0.573 . . . . 2.02 109.606 174.613 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 19' ' ' ALA . 89.2 t -71.2 139.93 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.082 -0.963 . . . . 0.84999999999999998 109.5 177.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 p -108.75 -34.97 6.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.138 0.422 . . . . 1.46 112.138 -174.611 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -116.79 172.76 7.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.675 -0.239 . . . . 1.8799999999999999 110.403 -177.352 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 1.7 p30 -68.32 134.31 50.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.307 0.575 . . . . 1.0800000000000001 109.876 177.659 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 p -63.63 -24.6 67.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.479 -0.782 . . . . 0.98999999999999999 112.771 -174.661 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.1 20.22 77.73 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 120.9 -0.667 . . . . 0.88 113.318 -177.158 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.33 7.69 4.59 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.427 0.899 . . . . 1.05 113.427 179.337 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.568 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 12.5 m -103.77 132.56 49.91 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.048 -1.093 . . . . 0.78000000000000003 108.048 174.658 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -51.68 -22.95 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.301 0.572 . . . . 1.6399999999999999 110.619 174.174 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -78.0 -52.46 8.76 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.351 -0.84 . . . . 1.0700000000000001 111.407 175.342 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.568 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 20.6 p -73.52 -12.54 60.81 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.256 0.465 . . . . 0.69999999999999996 112.256 -176.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.3 mp -75.86 -7.23 54.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 1.1399999999999999 110.93 175.795 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.8 mt -79.26 -55.4 5.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.369 -0.378 . . . . 1.4099999999999999 110.191 177.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 53.66 68.85 0.78 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.171 0.51 . . . . 3.6400000000000001 110.997 -178.676 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.22 153.87 74.49 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.593 -0.73 . . . . 4.2300000000000004 110.246 -176.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.0 94.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.314 2.676 . . . . 4.3600000000000003 113.093 -176.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.2 m80 65.59 83.14 0.17 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.471 -0.786 . . . . 7.2199999999999998 111.414 178.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.652 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 15.4 t70 -66.68 126.05 27.74 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.296 -0.631 . . . . 6.75 109.296 175.212 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.85 177.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.681 0.277 . . . . 7.3899999999999997 111.631 -175.597 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.44 -34.03 17.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 7.54 111.163 -178.443 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.2 p -65.08 -64.8 0.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.006 -0.543 . . . . 6.9900000000000002 110.812 -178.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.12 -159.67 11.55 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.916 -0.659 . . . . 4.9500000000000002 111.559 176.699 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 68.5 147.61 0.06 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.639 0.733 . . . . 4.4299999999999997 111.595 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -151.08 69.07 0.95 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.511 0.672 . . . . 4.8300000000000001 110.389 178.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 40' ' ' ASP . 21.0 p -116.55 32.84 5.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.51 -0.922 . . . . 2.9300000000000002 108.51 170.81 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -84.37 117.14 23.42 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.284 -1.325 . . . . 2.7599999999999998 111.281 -172.668 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 49.9 t -53.49 122.38 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.805 . . . . 0.56999999999999995 110.864 176.069 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 40.6 mt-10 -65.27 -19.88 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.86 -0.609 . . . . 1.9099999999999999 111.092 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.33 22.39 5.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.149 0.499 . . . . 3.1000000000000001 110.247 176.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -123.44 -15.56 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 1.79 110.661 174.433 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.0 ptp180 -83.78 136.69 34.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.562 -0.745 . . . . 2.8999999999999999 109.726 178.649 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.51 120.23 5.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 0.68999999999999995 111.284 178.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.1 mt -78.43 -22.29 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.585 -0.734 . . . . 1.28 110.782 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -147.39 77.79 1.45 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.337 -0.616 . . . . 3.3799999999999999 109.337 -173.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.803 HG23 HG11 ' A' ' 13' ' ' VAL . 59.9 mt -59.51 97.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.818 -0.628 . . . . 2.0299999999999998 110.884 179.116 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.6 m -113.18 168.29 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.789 -0.641 . . . . 3.5899999999999999 110.68 -179.401 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 49.79 61.75 3.0 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 124.068 0.855 . . . . 6.4299999999999997 110.918 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HG2' HG22 ' A' ' 57' ' ' ILE . 90.4 mtt180 -86.75 154.45 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.67 -0.695 . . . . 8.0299999999999994 110.719 -175.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.613 -0.708 . . . . 7.8700000000000001 109.666 176.818 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.537 ' N ' ' HG ' ' A' ' 21' ' ' CYS . 25.8 p . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 111.785 0.291 . . . . 1.81 111.785 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 4.16 90.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.048 -0.596 . . . . 1.36 112.191 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -113.27 -53.67 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.74 0.274 . . . . 2.66 111.74 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 p -79.3 154.41 29.13 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.911 -0.315 . . . . 1.26 111.609 -170.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.42 -53.32 8.88 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.811 0.694 . . . . 0.74 112.567 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.39 58.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.899 0.704 . . . . 0.37 112.899 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.537 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 91.3 m -77.92 -11.23 59.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.751 0.31 . . . . 0.64 111.494 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -87.11 -31.95 20.17 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.956 -0.757 . . . . 2.02 108.956 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 19' ' ' ALA . 47.8 t -73.52 139.45 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.806 -1.088 . . . . 0.85 109.727 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.2 p -115.95 -31.2 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.86 -0.336 . . . . 1.46 111.819 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -114.89 -177.55 3.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.073 0.463 . . . . 1.88 110.716 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.516 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.3 p-10 -66.76 120.6 13.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.207 0.527 . . . . 1.08 109.977 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 p -61.16 -23.2 65.38 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.764 -0.653 . . . . 0.99 111.779 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.11 12.49 82.37 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.087 -0.577 . . . . 0.88 113.61 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.47 25.05 4.11 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.462 0.912 . . . . 1.05 113.462 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.594 ' O ' HD13 ' A' ' 34' ' ' LEU . 39.2 m -109.04 144.19 37.37 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.916 -0.772 . . . . 0.78 108.916 172.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -48.47 -34.32 10.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.182 0.515 . . . . 1.64 110.183 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -79.71 -51.14 9.59 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.436 -0.802 . . . . 1.07 112.23 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.617 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 14.7 p -74.39 -0.69 18.08 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.87 -0.519 . . . . 0.7 112.377 -174.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.8 mp -79.65 -21.73 44.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.384 -0.598 . . . . 1.14 109.384 167.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 115.513 -0.767 . . . . 1.41 111.299 179.348 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.2 mttp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.991 0.424 . . . . 2.76 111.047 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.617 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.3 t -53.11 119.27 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.246 -0.888 . . . . 0.57 111.271 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.96 3.44 10.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.467 -0.788 . . . . 1.91 111.021 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.3 mmp_? -98.79 22.25 10.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.49 0.662 . . . . 3.1 109.37 171.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -107.94 -14.06 14.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.047 0.927 . . . . 1.79 108.647 169.257 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -89.06 122.71 32.66 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.997 -1.456 . . . . 2.9 109.719 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.423 ' HB3' HG12 ' A' ' 57' ' ' ILE . 21.1 t -50.77 129.81 23.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.676 . . . . 0.69 111.807 -177.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.89 -19.21 60.24 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.13 -0.487 . . . . 1.28 110.806 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -138.14 67.5 1.41 Allowed 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.144 -1.058 . . . . 3.38 108.144 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.427 ' H ' HG13 ' A' ' 57' ' ' ILE . 27.9 mt . . . . . 0 C--O 1.236 0.38 0 O-C-N 124.082 0.864 . . . . 2.03 111.521 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.624 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 23.7 p . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 112.234 0.457 . . . . 1.81 112.234 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.1 2.88 90.68 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.851 -0.69 . . . . 1.36 112.591 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -114.6 -40.14 3.64 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.055 0.391 . . . . 2.66 112.055 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -73.97 160.09 31.83 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.762 -0.199 . . . . 1.26 111.274 -172.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.25 -54.56 6.87 Favored 'General case' 0 C--N 1.333 -0.131 0 O-C-N 123.878 0.736 . . . . 0.74 111.582 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.07 -34.22 42.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.37 112.401 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.7 m -73.49 -28.1 61.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.716 0.293 . . . . 0.64 111.446 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -87.87 -22.57 24.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.249 -0.432 . . . . 2.02 110.316 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 19' ' ' ALA . 61.4 t -72.35 134.65 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.905 -0.589 . . . . 0.85 110.141 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 p -107.85 -35.44 6.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.836 0.31 . . . . 1.46 111.836 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -125.42 -178.9 4.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.752 0.31 . . . . 1.88 110.715 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -61.78 118.69 7.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.301 0.572 . . . . 1.08 110.257 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -62.34 -24.78 67.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.446 -0.797 . . . . 0.99 112.464 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 80.91 12.49 82.61 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.923 -0.656 . . . . 0.88 113.61 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.93 12.25 7.22 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.641 0.978 . . . . 1.05 113.641 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.617 ' O ' HD13 ' A' ' 34' ' ' LEU . 13.8 m -108.75 133.9 52.19 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.342 -0.984 . . . . 0.78 108.342 173.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 m -51.3 -23.57 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 1.64 110.699 174.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.8 m -79.36 -55.2 5.24 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.702 -0.681 . . . . 1.07 111.749 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 20.7 p -70.55 -8.47 51.65 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.969 0.414 . . . . 0.7 111.511 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.1 mp -78.58 -18.11 55.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 1.14 110.728 172.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.464 -0.335 . . . . 1.41 110.342 -179.244 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.926 0.393 . . . . 2.76 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.3 t -52.94 130.97 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.587 -0.733 . . . . 0.57 111.109 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.76 -15.47 53.53 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.815 -0.629 . . . . 1.91 111.51 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.538 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -97.0 34.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.439 0.638 . . . . 3.1 110.379 177.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.661 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -120.55 -30.37 4.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.639 -0.709 . . . . 1.79 109.667 172.242 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -82.87 115.5 21.78 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.899 -1.046 . . . . 2.9 109.793 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.624 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 53.2 t -52.62 128.59 26.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.528 -0.76 . . . . 0.69 111.421 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD11 ' NH2' ' A' ' 51' ' ' ARG . 3.0 mm? -79.73 -5.19 54.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.164 -0.471 . . . . 1.28 110.963 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 27.1 mtp180 -142.92 67.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.028 -0.533 . . . . 3.38 110.214 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 121.157 0.504 . . . . 2.03 110.13 179.012 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 14.9 p . . . . . 0 CA--C 1.533 0.307 0 CA-C-O 120.759 0.314 . . . . 1.81 111.37 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.45 -6.96 74.74 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.231 -0.509 . . . . 1.36 113.411 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -113.75 -30.25 6.83 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.053 0.76 . . . . 2.66 113.053 -173.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -75.46 166.04 24.19 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.814 -0.355 . . . . 1.26 111.245 -173.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -47.38 -60.45 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.864 0.728 . . . . 0.74 111.624 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.84 -33.45 23.81 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.78 0.659 . . . . 0.37 112.78 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.6 m -69.49 -31.68 70.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.64 111.268 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -89.62 -17.26 28.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.289 -0.414 . . . . 2.02 110.938 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' ALA . 60.4 t -74.75 128.59 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.514 -0.312 . . . . 0.85 110.229 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 p -121.31 -12.61 8.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.224 0.535 . . . . 1.46 110.757 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -120.78 176.95 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 1.88 110.48 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.1 p-10 -67.57 110.25 3.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.055 -0.52 . . . . 1.08 109.644 171.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 p -59.12 -28.57 66.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.646 -0.706 . . . . 0.99 111.977 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.61 13.06 65.8 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.817 -0.706 . . . . 0.88 113.205 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.67 18.5 6.8 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.195 0.813 . . . . 1.05 113.195 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.567 ' O ' HD13 ' A' ' 34' ' ' LEU . 4.6 m -123.27 133.31 54.19 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.729 -0.841 . . . . 0.78 108.729 173.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 t -52.57 -19.58 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.049 0.452 . . . . 1.64 110.982 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.86 -58.14 3.45 Favored 'General case' 0 N--CA 1.433 -1.306 0 C-N-CA 123.124 0.57 . . . . 1.07 111.232 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.4 p -69.59 -15.32 63.19 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.66 0.267 . . . . 0.7 111.397 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.1 mp -75.04 -11.02 60.01 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.477 -0.329 . . . . 1.14 111.209 176.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.347 . . . . 1.41 110.143 178.732 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 mttt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 110.044 -0.354 . . . . 2.76 110.044 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.565 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 46.1 t -45.82 119.19 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.51 0.506 . . . . 0.57 111.381 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 41.9 mt-10 -66.28 -20.24 66.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.942 -0.572 . . . . 1.91 111.668 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -90.94 35.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.294 0.568 . . . . 3.1 110.282 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 mmm-85 -110.15 -30.77 7.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.594 -0.73 . . . . 1.79 109.805 172.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 53' ' ' ARG . 17.5 ptt-85 -81.23 127.11 32.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.164 -0.925 . . . . 2.9 109.859 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.571 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 48.5 t -53.43 127.31 24.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.912 -0.586 . . . . 0.69 111.236 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.34 -20.12 59.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 1.28 110.569 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -110.38 3.01 19.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.251 -0.431 . . . . 3.38 110.285 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.435 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 5.8 mt . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 114.868 -1.06 . . . . 2.03 111.639 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 121.008 0.432 . . . . 1.81 111.495 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.506 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 72.49 -0.62 41.01 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.932 -0.577 . . . . 1.36 113.732 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -108.68 -25.39 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.144 0.472 . . . . 2.66 112.067 -176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.5 m -77.91 157.6 29.73 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.653 -0.499 . . . . 1.26 109.653 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -46.29 -62.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.676 0.274 . . . . 0.74 111.455 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.43 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.37 111.916 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 53.2 m -75.86 -15.65 60.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.747 0.308 . . . . 0.64 111.666 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 48.2 mt-30 -90.29 -17.26 27.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.492 0.663 . . . . 2.02 109.808 172.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 19' ' ' ALA . 60.1 t -77.35 136.28 24.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.308 -0.86 . . . . 0.85 109.013 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.443 HG23 ' HG3' ' A' ' 25' ' ' GLU . 9.8 t -132.63 -15.51 2.73 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.716 -0.394 . . . . 1.46 111.847 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.443 ' HG3' HG23 ' A' ' 24' ' ' THR . 49.7 mt-10 -132.22 178.33 6.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.772 0.32 . . . . 1.88 110.643 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -66.42 109.33 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.838 0.828 . . . . 1.08 110.124 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -26.18 68.67 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.972 -1.013 . . . . 0.99 112.212 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.68 9.93 84.95 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.868 -0.682 . . . . 0.88 113.836 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.58 34.9 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.476 0.638 . . . . 1.05 111.828 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' O ' HD13 ' A' ' 34' ' ' LEU . 2.7 m -132.81 152.74 51.75 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 119.376 -0.345 . . . . 0.78 110.283 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 t -48.71 -49.36 38.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 1.64 111.045 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -76.12 -34.89 59.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.981 0.42 . . . . 1.07 111.291 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -64.76 -31.76 73.13 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.895 0.379 . . . . 0.7 110.857 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.1 mp -78.14 0.54 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 1.14 111.929 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 110.2 -0.296 . . . . 1.41 110.2 178.068 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp . . . . . 0 C--O 1.233 0.237 0 N-CA-C 109.194 -0.669 . . . . 2.76 109.194 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t -52.74 135.31 35.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.57 111.556 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' C ' ' HE ' ' A' ' 51' ' ' ARG . 20.0 mm-40 -63.88 -17.67 63.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.085 -0.961 . . . . 1.91 111.625 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HE ' ' C ' ' A' ' 50' ' ' GLU . 2.3 mmp_? -100.09 16.44 24.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.1 0.476 . . . . 3.1 110.639 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 52' ' ' ARG . 1.7 mmp_? -116.83 25.23 10.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.588 0.709 . . . . 1.79 109.521 174.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -148.76 131.54 16.02 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.948 -1.024 . . . . 2.9 109.295 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.4 t -53.69 145.84 14.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.804 -0.634 . . . . 0.69 111.78 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.1 mm? -80.86 -4.83 56.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.376 -0.829 . . . . 1.28 110.07 -178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -125.3 -47.87 1.73 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.999 -0.546 . . . . 3.38 110.532 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 2.03 110.872 -178.681 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.646 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 21.3 p . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 113.12 0.785 . . . . 1.81 113.12 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.54 -5.08 85.59 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.869 -0.681 . . . . 1.36 113.249 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -110.49 -34.59 6.27 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.548 0.573 . . . . 2.66 112.548 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -76.59 166.76 22.94 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 111.812 0.301 . . . . 1.26 111.812 -172.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -48.28 -55.53 10.35 Favored 'General case' 0 C--O 1.225 -0.228 0 O-C-N 123.718 0.636 . . . . 0.74 111.692 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -54.12 -30.34 48.4 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.465 0.542 . . . . 0.37 112.465 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.2 m -77.26 -26.5 52.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.329 -0.396 . . . . 0.64 111.517 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -86.78 -29.48 22.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.147 -0.478 . . . . 2.02 110.169 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 19' ' ' ALA . 49.6 t -72.3 134.53 29.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.114 -0.698 . . . . 0.85 109.114 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.2 p -108.2 -32.06 7.65 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.936 0.347 . . . . 1.46 111.936 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -127.19 -168.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.208 0.528 . . . . 1.88 111.101 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.84 117.96 6.56 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.402 -0.817 . . . . 1.08 110.289 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 p -61.9 -26.07 67.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.627 -0.715 . . . . 0.99 112.007 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.424 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 85.18 12.75 72.88 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.872 -0.68 . . . . 0.88 113.118 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.84 6.24 6.66 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.577 0.955 . . . . 1.05 113.577 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.637 ' O ' HD13 ' A' ' 34' ' ' LEU . 21.0 m -103.86 138.03 41.02 Favored 'General case' 0 CA--C 1.515 -0.393 0 O-C-N 121.499 -0.751 . . . . 0.78 109.408 175.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 t -51.75 -26.81 10.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.388 0.613 . . . . 1.64 110.0 172.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -80.19 -55.06 5.19 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.36 -0.836 . . . . 1.07 112.183 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.573 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 25.8 p -70.06 -9.51 55.62 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.924 -0.485 . . . . 0.7 112.006 -175.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.7 mp -79.21 -7.98 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.932 0.345 . . . . 1.14 111.932 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.821 0.343 . . . . 1.41 111.183 -178.694 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.921 0.391 . . . . 2.76 110.337 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.573 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.4 t -54.48 122.78 11.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.524 -0.762 . . . . 0.57 110.071 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 21.2 mt-10 -64.92 -20.09 66.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.371 -0.831 . . . . 1.91 111.628 -174.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 23.4 mmt180 -102.8 35.69 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.36 0.6 . . . . 3.1 110.681 173.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -112.4 -29.18 7.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.553 -0.749 . . . . 1.79 109.732 168.183 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -81.05 122.27 27.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.217 -0.901 . . . . 2.9 109.46 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.646 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 48.0 t -53.14 132.32 38.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.085 -0.961 . . . . 0.69 112.092 -176.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.9 mm? -78.05 -4.04 45.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.88 -0.6 . . . . 1.28 110.418 176.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -141.13 58.43 1.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.47 -0.787 . . . . 3.38 109.862 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--N 1.331 -0.236 0 N-CA-C 109.707 -0.479 . . . . 2.03 109.707 -178.461 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 CA--C 1.531 0.229 0 CA-C-O 120.749 0.309 . . . . 1.81 111.522 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.52 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 79.89 -5.56 61.7 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.151 -0.547 . . . . 1.36 112.46 -176.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -103.6 -46.38 4.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.741 0.305 . . . . 2.66 111.105 -177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.64 152.43 40.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.44 -0.345 . . . . 1.26 110.291 -175.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.63 -63.88 0.86 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.644 0.59 . . . . 0.74 111.789 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -25.93 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.103 0.478 . . . . 0.37 112.053 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.52 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 73.8 m -81.44 -9.87 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.275 -0.421 . . . . 0.64 111.909 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -87.99 -28.84 21.17 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.604 -0.888 . . . . 2.02 108.604 170.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 19' ' ' ALA . 26.1 t -77.1 143.91 12.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.165 -1.38 . . . . 0.85 110.153 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.7 m -127.66 -23.88 3.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.021 0.439 . . . . 1.46 110.887 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -120.01 -177.94 3.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.924 0.393 . . . . 1.88 110.516 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.474 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.1 p30 -64.59 117.2 7.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.248 0.547 . . . . 1.08 110.182 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 p -59.96 -26.24 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.574 -0.739 . . . . 0.99 112.338 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.507 ' O ' HD21 ' A' ' 34' ' ' LEU . . . 82.88 15.45 72.75 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.873 -0.68 . . . . 0.88 112.993 -178.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.09 -3.34 8.55 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.823 0.675 . . . . 1.05 112.823 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.516 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 10.8 m -96.69 134.82 39.46 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.379 -0.971 . . . . 0.78 108.379 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -50.82 -27.3 7.04 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.544 0.527 . . . . 1.64 110.46 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -78.39 -53.75 6.93 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.382 -0.827 . . . . 1.07 111.749 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.545 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.5 p -70.42 -13.88 62.32 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.912 -0.493 . . . . 0.7 111.463 -176.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 28' ' ' GLY . 88.5 mt -76.75 -11.06 59.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.897 0.379 . . . . 1.14 111.259 175.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.592 -0.276 . . . . 1.41 110.56 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.839 0.352 . . . . 2.76 110.334 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 34.8 t -55.79 123.75 15.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.918 -0.583 . . . . 0.57 110.055 171.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 5.5 mm-40 -64.15 -15.18 59.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.007 -0.542 . . . . 1.91 111.187 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -94.86 37.33 1.15 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.26 0.553 . . . . 3.1 110.53 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.445 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -122.7 -9.44 8.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.537 -0.756 . . . . 1.79 110.682 173.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 16.9 ptm180 -87.11 120.31 28.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.6 -0.727 . . . . 2.9 110.531 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.478 ' SG ' HG12 ' A' ' 57' ' ' ILE . 42.9 t -53.08 125.39 17.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.823 -0.626 . . . . 0.69 111.723 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.7 mm? -80.37 -25.25 39.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 1.28 111.113 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -144.64 79.58 1.61 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.93 -0.767 . . . . 3.38 108.93 -172.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.478 HG12 ' SG ' ' A' ' 54' ' ' CYS . 15.4 mt . . . . . 0 C--N 1.317 -0.845 0 CA-C-O 121.603 0.716 . . . . 2.03 111.033 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 21.3 p . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 112.718 0.636 . . . . 1.81 112.718 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.81 3.2 72.93 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.836 -0.697 . . . . 1.36 113.129 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.5 -35.03 4.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.325 0.491 . . . . 2.66 112.325 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 p -77.94 157.68 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.555 -0.458 . . . . 1.26 110.871 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.87 -53.32 7.68 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.751 0.657 . . . . 0.74 112.088 -177.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -53.35 -32.42 49.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.595 0.591 . . . . 0.37 112.595 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.0 m -75.18 -23.65 57.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.765 0.317 . . . . 0.64 111.557 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -85.85 -26.28 25.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.411 0.624 . . . . 2.02 109.564 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 19' ' ' ALA . 38.9 t -78.26 149.46 5.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.001 -0.999 . . . . 0.85 109.457 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -130.25 -30.12 1.97 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.742 -0.383 . . . . 1.46 111.53 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -117.89 -168.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.006 -0.368 . . . . 1.88 110.006 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.41 109.03 0.9 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.197 -0.668 . . . . 1.08 109.197 172.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.9 p -58.21 -28.45 64.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.561 -0.745 . . . . 0.99 112.422 -175.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 83.35 22.18 57.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.88 112.905 -177.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.2 -6.25 4.86 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.377 0.88 . . . . 1.05 113.377 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.59 ' O ' HD13 ' A' ' 34' ' ' LEU . 8.3 m -98.86 134.55 41.57 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.853 -0.795 . . . . 0.78 108.853 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 p -49.36 -29.27 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.469 0.481 . . . . 1.64 111.174 176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m -78.94 -50.62 10.87 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.967 -0.56 . . . . 1.07 111.999 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.5 p -70.44 -14.14 62.42 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.658 -0.651 . . . . 0.7 111.028 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.3 mp -78.07 -11.2 59.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.228 -0.442 . . . . 1.14 111.387 174.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 110.4 -0.222 . . . . 1.41 110.4 -178.502 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mttp . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.884 0.373 . . . . 2.76 111.256 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 30.6 t -55.33 114.32 1.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.899 -0.778 . . . . 0.57 108.899 167.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.05 -24.07 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 1.91 111.354 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 21.8 mmt180 -90.22 28.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.321 0.581 . . . . 3.1 110.472 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.493 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -116.95 -10.64 10.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.833 0.825 . . . . 1.79 109.371 168.295 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -92.1 109.94 21.31 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.426 -1.261 . . . . 2.9 109.53 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.486 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 53.6 t -50.59 120.24 4.52 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.367 0.417 . . . . 0.69 111.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.93 -3.21 43.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 1.28 110.858 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 95.6 mtt180 -138.67 64.07 1.5 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.766 -0.457 . . . . 3.38 109.766 -176.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.907 -0.588 . . . . 2.03 110.283 -178.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.5 p . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.904 0.383 . . . . 1.81 111.359 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.85 -6.7 54.24 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.892 -0.671 . . . . 1.36 113.159 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -108.17 -34.23 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.175 0.435 . . . . 2.66 112.175 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 p -77.66 157.83 30.0 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.528 -0.469 . . . . 1.26 110.532 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.56 -57.94 3.31 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.123 0.889 . . . . 0.74 112.554 -176.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.11 -32.35 54.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.966 0.728 . . . . 0.37 112.966 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 m -72.69 -23.15 60.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.64 111.237 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -86.67 -25.9 24.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.2 0.524 . . . . 2.02 110.018 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 19' ' ' ALA . 21.8 t -75.23 122.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.49 -0.777 . . . . 0.85 109.542 176.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -98.79 -26.42 14.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.861 0.362 . . . . 1.46 111.629 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -126.05 -172.08 2.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.066 0.46 . . . . 1.88 110.409 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -63.84 116.38 5.73 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.91 -0.774 . . . . 1.08 108.91 170.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 p -58.89 -26.47 64.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.028 0.751 . . . . 0.99 113.028 -171.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.425 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 80.39 19.25 69.39 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.804 -0.712 . . . . 0.88 112.832 -178.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.63 3.14 5.0 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.206 0.817 . . . . 1.05 113.206 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.63 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 20.4 m -100.28 134.32 43.38 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.558 -0.904 . . . . 0.78 108.558 176.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 t -52.94 -22.58 5.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.143 0.497 . . . . 1.64 109.815 172.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.3 m -79.48 -55.91 4.7 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.489 -0.778 . . . . 1.07 111.983 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.63 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 28.3 p -70.02 -13.03 62.04 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.901 -0.5 . . . . 0.7 111.848 -175.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 30' ' ' CYS . 9.1 mp -80.23 -3.79 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.626 -0.261 . . . . 1.14 111.399 175.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 110.194 -0.299 . . . . 1.41 110.194 179.421 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.655 0.264 . . . . 2.76 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.512 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 44.3 t -52.52 121.24 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.57 109.965 172.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.95 0.04 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.977 -0.556 . . . . 1.91 111.749 -176.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -102.75 34.1 2.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.919 0.39 . . . . 3.1 110.117 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.531 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -120.57 -19.97 7.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.557 0.694 . . . . 1.79 110.565 175.309 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -81.03 117.7 21.86 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.886 -1.052 . . . . 2.9 110.167 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.5 t -52.22 121.13 6.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.68 -0.691 . . . . 0.69 110.95 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -78.71 -2.98 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.209 0.528 . . . . 1.28 110.539 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -139.08 64.15 1.48 Allowed 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.517 -0.92 . . . . 3.38 108.517 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.1 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 121.492 0.663 . . . . 2.03 112.247 -172.208 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 112.193 0.442 . . . . 1.81 112.193 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.38 -10.68 63.26 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.746 -0.74 . . . . 1.36 112.949 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -105.67 -32.91 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.608 0.595 . . . . 2.66 112.608 -173.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' SG ' HD23 ' A' ' 55' ' ' LEU . 12.2 p -80.08 165.51 22.44 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.61 -0.436 . . . . 1.26 110.998 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.96 -67.51 0.27 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.948 0.78 . . . . 0.74 112.773 -176.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.38 -29.14 33.08 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.653 0.612 . . . . 0.37 112.653 -176.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 m -73.22 -32.46 64.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.686 0.254 . . . . 0.64 111.686 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -86.84 0.88 54.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.171 0.51 . . . . 2.02 111.161 -176.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 19' ' ' ALA . 31.7 t -80.76 160.73 3.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.606 -0.725 . . . . 0.85 109.69 176.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.3 m -124.74 -45.39 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.816 0.341 . . . . 1.46 111.374 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -106.55 170.86 7.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.322 -0.399 . . . . 1.88 110.716 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.57 134.79 50.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.333 -0.618 . . . . 1.08 109.333 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 p -64.81 -24.4 67.54 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.568 0.581 . . . . 0.99 112.568 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.08 18.51 79.37 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 121.141 -0.552 . . . . 0.88 113.604 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.0 19.61 3.78 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.754 1.02 . . . . 1.05 113.754 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.56 ' O ' HD13 ' A' ' 34' ' ' LEU . 22.5 m -111.05 150.86 28.74 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.661 -0.65 . . . . 0.78 109.421 174.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -52.09 -32.29 34.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.461 0.648 . . . . 1.64 110.155 171.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.27 -56.24 4.82 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.289 -0.868 . . . . 1.07 112.342 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.8 p -69.3 -12.55 61.76 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.676 -0.409 . . . . 0.7 111.809 -176.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.3 mp -79.35 -4.56 51.5 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.9 0.333 . . . . 1.14 111.9 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 110.236 -0.283 . . . . 1.41 110.236 178.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 mttp . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.568 0.223 . . . . 2.76 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 42.2 t -47.07 124.86 6.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.812 -0.631 . . . . 0.57 110.814 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.6 -17.8 64.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.91 111.267 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -87.62 27.23 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.472 0.654 . . . . 3.1 110.176 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -115.44 -13.78 11.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.419 -0.81 . . . . 1.79 109.209 172.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -90.82 126.04 35.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.339 -0.846 . . . . 2.9 109.848 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.496 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 45.8 t -50.84 138.3 19.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.135 -0.484 . . . . 0.69 110.056 174.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD23 ' SG ' ' A' ' 18' ' ' CYS . 3.6 mm? -72.24 -30.26 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 1.28 111.164 -173.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -104.04 -3.93 23.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.951 0.405 . . . . 3.38 111.138 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.496 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 28.4 mt . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 115.147 -0.933 . . . . 2.03 111.357 -173.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.924 0.392 . . . . 1.81 111.386 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.37 2.41 73.8 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 121.101 -0.571 . . . . 1.36 113.041 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -114.16 -36.19 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.103 0.408 . . . . 2.66 112.103 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -77.94 159.57 28.76 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.225 -0.297 . . . . 1.26 111.048 -175.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -47.04 -55.19 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.895 0.747 . . . . 0.74 111.727 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -51.35 -35.55 38.96 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.774 0.657 . . . . 0.37 112.774 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.6 m -71.75 -29.95 65.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.64 111.169 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -89.25 -21.17 23.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.457 -0.338 . . . . 2.02 111.284 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 19' ' ' ALA . 65.1 t -73.39 129.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.85 110.118 178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.2 p -112.95 -25.1 9.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 1.46 111.462 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.44 -177.9 3.27 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.771 -0.455 . . . . 1.88 109.771 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -68.36 110.24 4.01 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.853 -0.795 . . . . 1.08 108.853 169.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -27.65 67.48 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.201 0.815 . . . . 0.99 113.201 -167.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 17.93 73.94 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.782 -0.723 . . . . 0.88 113.667 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.77 31.41 2.51 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.346 0.869 . . . . 1.05 113.346 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.604 ' O ' HD13 ' A' ' 34' ' ' LEU . 8.2 m -131.72 157.13 44.58 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 121.743 -0.598 . . . . 0.78 110.379 172.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.6 t -48.23 -48.07 35.39 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 123.424 0.452 . . . . 1.64 111.481 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.438 ' HB ' ' OE1' ' A' ' 50' ' ' GLU . 23.4 m -79.48 -43.85 22.4 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.534 0.568 . . . . 1.07 112.534 -173.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.581 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 24.4 p -69.27 -12.57 61.78 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.581 -0.7 . . . . 0.7 111.539 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.3 mp -77.38 -13.78 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.99 0.424 . . . . 1.14 110.819 172.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 1.41 110.797 178.722 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.898 0.38 . . . . 2.76 110.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.581 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 15.3 t -53.36 121.73 8.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.314 -0.857 . . . . 0.57 112.007 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.438 ' OE1' ' HB ' ' A' ' 32' ' ' THR . 3.4 mp0 -65.28 -17.98 64.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.862 -1.063 . . . . 1.91 111.743 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HG3' ' SG ' ' A' ' 30' ' ' CYS . 99.4 mtt180 -96.07 39.95 1.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.256 0.55 . . . . 3.1 110.314 176.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -114.61 -34.36 5.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.375 -0.83 . . . . 1.79 109.854 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -76.29 125.51 29.31 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.163 -0.926 . . . . 2.9 109.757 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -51.12 123.76 10.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.603 -0.726 . . . . 0.69 111.178 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.88 -10.51 59.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 1.28 110.597 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 56' ' ' ARG . 48.5 mtt180 -133.4 55.63 1.89 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.174 -0.466 . . . . 3.38 110.087 -177.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 2.03 110.862 -179.58 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 15.1 p . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 112.204 0.446 . . . . 1.81 112.204 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.26 -2.29 77.27 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.96 -0.638 . . . . 1.36 113.523 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -116.26 -31.05 5.76 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.757 0.651 . . . . 2.66 112.757 -175.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -74.85 157.22 35.47 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 120.674 -0.41 . . . . 1.26 110.806 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.22 -56.73 3.9 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 124.025 0.828 . . . . 0.74 111.463 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -53.18 -30.73 39.05 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.974 0.731 . . . . 0.37 112.974 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 m -71.75 -31.97 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.64 111.011 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -90.54 -21.49 21.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.887 -0.597 . . . . 2.02 111.234 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 19' ' ' ALA . 46.7 t -74.47 133.73 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.97 -0.381 . . . . 0.85 109.97 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -105.47 -37.14 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.787 0.327 . . . . 1.46 111.747 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.77 -172.8 2.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.416 -0.356 . . . . 1.88 110.463 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.7 p-10 -65.45 125.64 25.77 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.348 -0.612 . . . . 1.08 109.348 174.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.2 p -63.89 -26.81 68.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.663 -0.699 . . . . 0.99 111.855 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.23 10.85 83.14 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.034 -0.603 . . . . 0.88 113.155 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.15 28.26 4.12 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.356 0.873 . . . . 1.05 113.356 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.606 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 32.8 m -114.89 141.93 47.27 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.194 -1.039 . . . . 0.78 108.194 170.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.529 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 13.7 t -51.97 -30.53 25.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.514 -0.551 . . . . 1.64 109.514 171.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -77.82 -50.87 11.45 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.629 -0.714 . . . . 1.07 112.224 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.606 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 24.8 p -73.03 -5.46 38.99 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.708 -0.62 . . . . 0.7 111.597 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.9 mp -83.04 -23.28 33.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.156 0.503 . . . . 1.14 109.837 170.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 31' ' ' SER . 82.0 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.594 -0.73 . . . . 1.41 109.987 175.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.8 tptm . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 108.902 -0.777 . . . . 2.76 108.902 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.604 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 53.1 t -51.07 121.64 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.614 0.721 . . . . 0.57 111.306 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.484 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 25.4 mt-10 -66.93 -16.26 64.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.869 -1.06 . . . . 1.91 111.336 -177.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 25.4 mmm180 -90.6 28.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.417 0.627 . . . . 3.1 109.929 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.518 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -115.64 -5.8 12.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.981 0.896 . . . . 1.79 109.102 171.098 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -100.43 111.46 23.73 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.264 -1.335 . . . . 2.9 109.952 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.458 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 51.8 t -51.45 125.67 15.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 0.69 111.174 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.2 -9.85 58.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.28 110.982 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -137.88 67.06 1.43 Allowed 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.052 -0.722 . . . . 3.38 109.052 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.8 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 121.143 0.497 . . . . 2.03 110.173 178.35 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.509 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 19.1 p . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 112.178 0.436 . . . . 1.81 112.178 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.14 -4.22 85.9 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.717 -0.754 . . . . 1.36 113.022 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -110.91 -35.64 5.89 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.474 0.546 . . . . 2.66 112.474 -175.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 p -75.46 158.01 33.25 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.791 -0.364 . . . . 1.26 110.836 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.31 -55.61 5.77 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.827 0.705 . . . . 0.74 112.177 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.82 22.98 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.033 0.753 . . . . 0.37 113.033 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 m -77.44 -21.69 52.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.64 111.672 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -89.71 -28.04 19.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.312 0.577 . . . . 2.02 109.977 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 19' ' ' ALA . 35.2 t -76.48 122.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.438 -0.801 . . . . 0.85 109.793 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.9 p -104.07 -14.01 16.07 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.157 0.428 . . . . 1.46 112.157 -175.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -131.44 -172.9 2.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.925 -0.398 . . . . 1.88 109.925 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.5 p-10 -63.47 116.66 5.78 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.931 -0.766 . . . . 1.08 108.931 171.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -61.31 -23.22 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.741 -0.663 . . . . 0.99 112.495 -172.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.427 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 77.38 14.19 82.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.829 -0.701 . . . . 0.88 113.077 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -130.21 22.37 5.24 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.084 0.772 . . . . 1.05 113.084 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' HD13 ' A' ' 34' ' ' LEU . 13.9 m -118.6 136.51 53.84 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.54 -0.911 . . . . 0.78 108.54 170.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 m -52.38 -21.48 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.075 0.464 . . . . 1.64 110.518 172.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -59.02 2.95 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.696 -0.684 . . . . 1.07 111.769 176.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.532 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 31.1 p -69.34 -13.06 62.17 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.15 -0.344 . . . . 0.7 111.721 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.6 mp -76.53 -12.3 60.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.007 0.432 . . . . 1.14 111.015 174.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 109.116 -0.698 . . . . 1.41 109.116 175.051 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.443 -0.206 . . . . 2.76 110.443 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 41.9 t -52.19 105.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.012 0.434 . . . . 0.57 109.847 172.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.86 -27.81 68.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.573 . . . . 1.91 111.002 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -88.08 33.57 0.73 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 3.1 110.663 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' HG2' ' SG ' ' A' ' 49' ' ' CYS . 20.1 mmm-85 -114.66 -10.63 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.683 0.754 . . . . 1.79 109.114 167.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -81.89 115.35 21.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.521 -1.218 . . . . 2.9 109.037 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.509 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 48.7 t -52.55 116.41 2.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.69 110.141 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.408 ' H ' HD22 ' A' ' 55' ' ' LEU . 2.7 mm? -73.56 -18.12 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 1.28 111.071 -174.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 31.0 mtm-85 -140.45 71.88 1.38 Allowed 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.958 -0.756 . . . . 3.38 108.958 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 54' ' ' CYS . 82.1 mt . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.005 -0.543 . . . . 2.03 110.731 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 18.2 p . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 112.222 0.452 . . . . 1.81 112.222 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.74 -3.94 81.17 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.919 -0.658 . . . . 1.36 112.926 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -110.61 -36.7 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.437 0.532 . . . . 2.66 112.437 -175.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 p -75.17 157.25 34.89 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.897 -0.321 . . . . 1.26 111.07 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.53 -52.54 10.25 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.848 0.717 . . . . 0.74 111.679 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -50.61 -38.44 45.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.796 -0.638 . . . . 0.37 112.087 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 m -72.37 -24.39 61.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.428 -0.351 . . . . 0.64 111.728 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -90.14 -20.8 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.957 0.408 . . . . 2.02 110.708 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 19' ' ' ALA . 98.5 t -72.6 -44.74 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.922 -0.581 . . . . 0.85 110.692 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.8 p 62.16 -17.02 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.091 1.356 . . . . 1.46 114.277 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 23' ' ' VAL . 31.9 mt-10 -132.48 174.02 10.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.435 -0.209 . . . . 1.88 110.435 -175.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.87 105.25 2.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 1.08 109.678 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.1 p -62.8 -23.33 67.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.74 -0.664 . . . . 0.99 112.774 -172.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.52 10.94 71.7 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 121.189 -0.529 . . . . 0.88 113.59 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.18 28.81 4.71 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.797 0.665 . . . . 1.05 112.797 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 56.8 m -104.3 155.79 18.45 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.931 -0.766 . . . . 0.78 108.931 170.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.8 m -49.72 -39.66 37.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.15 0.5 . . . . 1.64 110.205 172.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.5 m -80.96 -52.19 7.71 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.982 0.734 . . . . 1.07 112.982 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.0 p -68.33 -7.04 27.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.68 -0.637 . . . . 0.7 111.628 -173.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.09 -13.79 60.51 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.671 0.272 . . . . 1.14 111.22 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 111.636 0.235 . . . . 1.41 111.636 -176.284 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.805 -0.443 . . . . 2.76 109.805 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 52.0 t -53.36 109.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.172 -0.677 . . . . 0.57 109.172 172.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.92 -29.84 68.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.217 -0.901 . . . . 1.91 111.795 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 40.9 mmt180 -91.92 33.35 1.05 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.266 0.555 . . . . 3.1 110.778 175.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.534 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -118.38 -24.38 6.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.675 0.75 . . . . 1.79 109.573 168.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -83.63 111.16 18.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.574 -1.194 . . . . 2.9 109.364 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.444 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 53.7 t -50.25 126.29 14.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.668 -0.696 . . . . 0.69 111.528 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.7 -9.33 58.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 1.28 111.038 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 97.1 mtt180 -139.51 65.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.241 -0.652 . . . . 3.38 109.241 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 54' ' ' CYS . 67.2 mt . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 2.03 110.632 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.889 0.376 . . . . 1.81 111.101 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.4 1.78 85.71 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.84 -0.695 . . . . 1.36 112.402 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -120.1 -36.58 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.995 0.739 . . . . 2.66 112.995 -172.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -77.38 168.93 19.2 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.542 -0.463 . . . . 1.26 111.119 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.92 -60.85 1.65 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.311 0.856 . . . . 0.74 113.311 -174.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.6 -30.39 68.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.972 0.36 . . . . 0.37 111.972 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.9 m -77.92 -13.02 60.02 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.986 0.422 . . . . 0.64 111.159 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -85.39 -27.96 25.47 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.969 -0.752 . . . . 2.02 108.969 172.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 19' ' ' ALA . 40.3 t -76.99 132.59 32.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.483 -1.235 . . . . 0.85 109.927 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.1 p -123.68 -4.57 8.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.817 0.341 . . . . 1.46 111.271 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -136.62 -170.05 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.099 -0.5 . . . . 1.88 110.548 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -63.62 110.17 1.92 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.675 -0.693 . . . . 1.08 109.775 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.4 p -61.88 -20.06 63.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.565 . . . . 0.99 111.479 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.83 18.04 73.66 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 116.101 -0.5 . . . . 0.88 113.104 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.81 -16.78 8.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.768 0.655 . . . . 1.05 112.768 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.9 138.08 34.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.261 -0.644 . . . . 0.78 109.261 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 p -51.4 -23.96 4.35 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.46 0.475 . . . . 1.64 111.43 174.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.9 -59.66 2.66 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 115.776 -0.647 . . . . 1.07 111.361 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.607 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 20.7 p -70.88 -13.7 62.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.356 -0.384 . . . . 0.7 111.586 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.48 -7.89 54.51 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.752 0.31 . . . . 1.14 111.005 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.346 -0.388 . . . . 1.41 110.518 177.474 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.855 0.359 . . . . 2.76 111.347 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.607 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 40.3 t -52.89 111.08 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.467 -0.788 . . . . 0.57 110.082 173.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 41.9 mt-10 -62.75 -16.3 57.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 1.91 111.377 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -93.16 32.6 1.29 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.892 0.377 . . . . 3.1 110.763 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 18.8 mmm-85 -115.18 -24.94 8.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.475 0.655 . . . . 1.79 110.338 174.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 12.8 ptm180 -83.49 134.79 34.83 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.943 -1.026 . . . . 2.9 110.501 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.5 t -51.78 126.25 17.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.471 -0.786 . . . . 0.69 110.344 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.68 -35.11 65.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.438 -0.346 . . . . 1.28 111.476 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -102.06 -3.73 27.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.309 0.576 . . . . 3.38 110.704 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 57' ' ' ILE . 31.4 mt . . . . . 0 CA--C 1.535 0.37 0 CA-C-N 114.804 -1.089 . . . . 2.03 111.391 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.603 ' N ' ' HG ' ' A' ' 21' ' ' CYS . 15.9 p . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.984 0.421 . . . . 1.81 111.177 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.1 -4.93 60.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.123 -0.56 . . . . 1.36 112.936 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -105.92 -38.01 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.975 0.361 . . . . 2.66 111.975 -174.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.65 156.15 27.74 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.6 -0.44 . . . . 1.26 110.869 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.561 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -46.62 -55.25 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.935 0.772 . . . . 0.74 112.236 -176.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.29 -37.11 45.66 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.816 0.673 . . . . 0.37 112.816 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.603 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 62.4 m -74.98 -21.81 58.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.758 0.314 . . . . 0.64 111.502 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -87.13 -23.01 25.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.984 0.421 . . . . 2.02 110.295 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 19' ' ' ALA . 60.4 t -74.15 131.91 34.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.628 -0.714 . . . . 0.85 109.525 175.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 p -111.2 -29.47 7.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.042 0.449 . . . . 1.46 111.684 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -120.85 -175.03 2.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.431 0.634 . . . . 1.88 111.471 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -62.49 108.49 1.14 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.177 -0.919 . . . . 1.08 110.25 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.5 p -59.2 -26.44 64.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.659 -0.701 . . . . 0.99 112.467 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.92 18.07 64.06 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.797 -0.716 . . . . 0.88 113.133 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.4 -0.85 6.29 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.412 0.893 . . . . 1.05 113.412 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.65 ' O ' HD13 ' A' ' 34' ' ' LEU . 10.9 m -101.5 134.32 44.78 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.349 -0.612 . . . . 0.78 109.349 178.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 m -50.93 -22.21 2.13 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.986 0.422 . . . . 1.64 110.974 173.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -80.24 -56.63 4.08 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.024 -0.535 . . . . 1.07 111.595 176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.567 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 23.9 p -70.53 -11.25 60.81 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 122.02 -0.425 . . . . 0.7 112.079 -175.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.2 mp -75.17 -9.42 58.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.704 0.288 . . . . 1.14 111.423 177.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.423 -0.353 . . . . 1.41 110.192 178.322 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.814 0.34 . . . . 2.76 110.68 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.567 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 15.7 t -53.08 124.56 14.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.285 0.564 . . . . 0.57 110.536 174.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.524 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 33.1 mt-10 -64.63 -15.38 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.263 -0.88 . . . . 1.91 111.842 -176.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -90.99 30.57 1.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.427 0.632 . . . . 3.1 109.927 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.532 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -111.42 -10.23 14.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.181 -0.918 . . . . 1.79 108.576 170.481 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -86.83 112.72 22.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.137 -1.392 . . . . 2.9 110.04 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 t -52.7 131.7 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 0.69 110.344 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.66 -38.16 62.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 1.28 111.574 -173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -107.28 -1.78 21.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.045 0.45 . . . . 3.38 111.318 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 57' ' ' ILE . 28.0 mt . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 114.991 -1.004 . . . . 2.03 111.259 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' N ' ' HG ' ' A' ' 21' ' ' CYS . 15.7 p . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.976 0.417 . . . . 1.81 111.427 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.17 8.02 64.33 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.95 -0.568 . . . . 1.36 112.723 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -113.6 -41.64 3.59 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.889 -0.183 . . . . 2.66 111.215 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -79.87 152.9 29.39 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.033 -0.358 . . . . 1.26 110.033 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.93 -55.51 5.4 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.823 0.702 . . . . 0.74 112.239 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.85 -42.47 36.55 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.889 0.7 . . . . 0.37 112.889 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.564 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 70.9 m -72.55 -16.16 61.76 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.837 0.31 . . . . 0.64 111.837 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -89.18 -19.95 24.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.43 0.634 . . . . 2.02 109.996 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 19' ' ' ALA . 39.1 t -77.07 157.72 5.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.764 -1.107 . . . . 0.85 110.242 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.549 HG23 ' HG3' ' A' ' 25' ' ' GLU . 13.4 t -140.75 3.38 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.827 0.346 . . . . 1.46 111.257 175.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.549 ' HG3' HG23 ' A' ' 24' ' ' THR . 21.3 mt-10 -137.59 176.75 8.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.361 -0.381 . . . . 1.88 110.397 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -68.08 117.15 9.54 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.596 -0.89 . . . . 1.08 108.596 167.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.2 p -59.24 -28.41 66.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.274 0.842 . . . . 0.99 113.274 -169.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.543 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 81.71 19.79 65.07 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.457 -0.878 . . . . 0.88 112.922 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.44 -6.95 6.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.027 0.751 . . . . 1.05 113.027 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.57 ' O ' HD13 ' A' ' 34' ' ' LEU . 12.9 m -97.02 130.58 44.32 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.066 -0.716 . . . . 0.78 109.066 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.499 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.1 p -52.57 -22.37 4.89 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.329 0.393 . . . . 1.64 110.895 173.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.8 m -78.31 -55.86 4.91 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.068 -0.514 . . . . 1.07 111.576 174.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.567 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 19.5 p -69.19 -16.11 63.54 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 122.061 -0.4 . . . . 0.7 111.447 -175.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.5 mp -77.32 -14.75 59.67 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.805 0.298 . . . . 1.14 111.805 176.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 31' ' ' SER . 98.0 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.701 0.286 . . . . 1.41 111.541 -175.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 121.001 0.429 . . . . 2.76 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.58 130.79 41.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.57 109.572 170.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.23 -14.35 60.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 1.91 111.96 -174.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -99.59 34.24 2.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.361 0.601 . . . . 3.1 110.458 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -118.0 -21.62 8.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.711 -0.677 . . . . 1.79 109.419 172.668 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -89.18 122.62 32.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.366 -0.834 . . . . 2.9 109.782 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 37.4 t -53.93 115.53 2.07 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.09 0.244 . . . . 0.69 110.654 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.74 -11.65 59.9 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.887 0.375 . . . . 1.28 111.141 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -139.37 67.23 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.654 -0.498 . . . . 3.38 109.654 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.468 -0.787 . . . . 2.03 111.13 -178.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 112.517 0.562 . . . . 1.81 112.517 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.16 0.34 90.16 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.724 -0.75 . . . . 1.36 112.977 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -110.71 -37.96 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.066 0.433 . . . . 2.66 111.878 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.7 p -76.53 156.78 32.61 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.961 -0.295 . . . . 1.26 110.969 -173.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.48 -57.07 3.28 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 124.061 0.851 . . . . 0.74 112.694 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.56 -31.34 64.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.625 0.602 . . . . 0.37 112.625 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.8 m -73.4 -23.29 60.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.64 111.124 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -89.18 -28.8 19.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.327 -0.397 . . . . 2.02 110.64 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 19' ' ' ALA . 99.4 t -72.71 132.12 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.85 109.895 177.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 p -111.77 -27.85 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.004 0.372 . . . . 1.46 112.004 -176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.04 -176.91 4.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.408 -0.36 . . . . 1.88 110.569 -176.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.69 120.66 13.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.532 0.682 . . . . 1.08 110.485 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -25.49 67.26 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.388 -0.824 . . . . 0.99 111.436 177.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.36 4.88 90.01 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.964 -0.562 . . . . 0.88 114.495 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.59 26.0 4.4 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.951 0.875 . . . . 1.05 112.426 -178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.469 ' O ' HD13 ' A' ' 34' ' ' LEU . 3.8 m -116.68 158.57 23.57 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.431 -0.581 . . . . 0.78 109.431 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -48.29 -49.58 33.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.156 0.503 . . . . 1.64 110.825 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -33.22 56.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.997 -0.547 . . . . 1.07 111.559 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.444 ' HB2' ' H ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -64.65 -27.62 69.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.7 111.564 178.244 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.5 mp -78.23 -15.71 58.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.146 0.498 . . . . 1.14 110.453 176.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.859 -0.61 . . . . 1.41 110.085 175.052 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.951 0.405 . . . . 2.76 110.086 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 51' ' ' ARG . 18.4 t -50.41 133.86 24.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.455 -0.793 . . . . 0.57 112.26 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.81 -16.94 61.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.199 -0.909 . . . . 1.91 111.233 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 26.1 mmm180 -92.12 29.11 1.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.517 . . . . 3.1 110.221 177.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -109.81 -17.4 13.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.518 -0.764 . . . . 1.79 109.413 173.267 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -80.91 127.11 32.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.728 -1.123 . . . . 2.9 110.128 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.532 ' HB3' HG12 ' A' ' 57' ' ' ILE . 49.4 t -50.94 117.79 2.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.643 -0.708 . . . . 0.69 111.358 -178.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.87 -10.04 59.36 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.273 0.559 . . . . 1.28 110.546 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -140.16 65.45 1.42 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.629 -0.714 . . . . 3.38 110.042 -175.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.532 HG12 ' HB3' ' A' ' 54' ' ' CYS . 69.5 mt . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 121.167 0.508 . . . . 2.03 110.189 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 20.7 p . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 120.738 0.304 . . . . 1.81 111.734 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.09 -21.31 42.77 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.038 -0.601 . . . . 1.36 113.246 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -103.63 -26.96 12.59 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.659 0.614 . . . . 2.66 112.659 -171.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 p -78.36 157.65 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.329 -0.548 . . . . 1.26 110.587 -176.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.97 -56.84 3.67 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 124.076 0.86 . . . . 0.74 112.436 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.67 63.86 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.425 0.528 . . . . 0.37 112.425 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.7 m -72.44 -30.38 64.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 0.64 111.318 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -88.52 -8.67 54.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.116 0.484 . . . . 2.02 110.239 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 19' ' ' ALA . 95.9 t -76.04 147.58 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.537 -0.756 . . . . 0.85 109.516 174.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -109.88 -41.99 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.0 0.37 . . . . 1.46 112.0 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -118.5 -176.96 3.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.799 0.333 . . . . 1.88 110.978 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.79 138.02 57.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.14 -0.689 . . . . 1.08 109.14 173.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 p -64.67 -21.35 66.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.048 0.759 . . . . 0.99 113.048 -173.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.413 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 71.97 18.75 77.91 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.934 -0.65 . . . . 0.88 113.342 -176.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.17 14.9 3.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.791 1.034 . . . . 1.05 113.791 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.591 ' O ' HD13 ' A' ' 34' ' ' LEU . 27.0 m -103.87 140.75 37.24 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.494 -0.928 . . . . 0.78 108.494 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.2 p -50.87 -27.63 7.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.406 0.622 . . . . 1.64 110.306 172.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -56.75 4.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.445 -0.798 . . . . 1.07 111.794 178.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.586 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 21.8 p -69.63 -9.25 53.42 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.125 -0.359 . . . . 0.7 111.826 -174.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.8 mp -81.82 -2.08 49.71 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.03 0.381 . . . . 1.14 112.03 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.08 0.467 . . . . 1.41 111.256 -177.149 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.012 0.434 . . . . 2.76 111.566 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 41.5 t -54.21 129.72 36.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.57 110.601 173.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.54 -21.44 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.883 -0.598 . . . . 1.91 112.297 -177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -93.98 24.23 4.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.349 0.595 . . . . 3.1 110.676 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -113.84 -11.24 12.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.818 0.818 . . . . 1.79 108.988 172.446 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -87.66 114.01 23.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.504 -1.226 . . . . 2.9 109.859 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.459 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 40.3 t -50.57 128.76 21.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 0.69 111.318 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.93 -4.86 49.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.28 110.847 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -138.21 61.43 1.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.368 -0.378 . . . . 3.38 110.019 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.09 -0.504 . . . . 2.03 110.596 -176.88 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' N ' ' HG ' ' A' ' 54' ' ' CYS . 18.5 p . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 113.045 0.757 . . . . 1.81 113.045 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.2 -4.55 85.38 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.643 -0.789 . . . . 1.36 113.398 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -116.16 -22.61 8.83 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 117.506 0.653 . . . . 2.66 112.737 -175.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -81.92 160.82 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.524 -0.471 . . . . 1.26 110.338 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.82 -57.26 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.836 0.71 . . . . 0.74 111.959 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.58 -34.01 35.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.423 0.527 . . . . 0.37 112.423 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 m -72.73 -26.09 61.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.016 0.376 . . . . 0.64 112.016 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -91.56 -13.68 31.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.145 0.498 . . . . 2.02 110.717 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 19' ' ' ALA . 95.9 t -74.56 139.64 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.741 -0.663 . . . . 0.85 110.756 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.2 p -101.99 -42.65 6.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.39 -0.368 . . . . 1.46 111.3 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -121.04 142.89 49.39 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.642 -0.503 . . . . 1.88 109.642 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.53 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -67.19 157.44 33.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.238 0.542 . . . . 1.08 110.218 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -28.32 69.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.206 -0.907 . . . . 0.99 113.049 -170.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.96 8.05 46.79 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 114.347 0.499 . . . . 0.88 114.347 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.23 -2.95 3.92 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.364 1.246 . . . . 1.05 114.364 -174.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.491 ' O ' HD13 ' A' ' 34' ' ' LEU . 15.0 p -102.29 143.97 31.38 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 118.944 0.793 . . . . 0.78 110.081 -176.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -48.97 -22.31 0.84 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.184 0.928 . . . . 1.64 113.14 -170.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.4 m -75.57 -57.14 4.06 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.206 -0.197 . . . . 1.07 111.191 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.4 p -71.04 -13.21 61.91 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.976 0.417 . . . . 0.7 111.319 -178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.1 mp -78.95 -0.03 29.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 1.14 111.317 177.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 109.632 -0.507 . . . . 1.41 109.632 176.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.834 0.349 . . . . 2.76 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.587 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 53.2 t -48.08 141.94 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.423 -0.808 . . . . 0.57 110.704 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.7 -22.04 61.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.847 -0.615 . . . . 1.91 111.443 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HB3' HG21 ' A' ' 23' ' ' VAL . 25.7 mmt180 -97.02 21.59 9.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.094 0.473 . . . . 3.1 110.879 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.653 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -125.35 -35.38 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.474 . . . . 1.79 110.647 176.632 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -81.45 118.11 22.43 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.893 -0.594 . . . . 2.9 110.461 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.522 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 43.7 t -54.29 125.21 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.748 -0.66 . . . . 0.69 111.046 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -78.45 -3.04 41.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.491 . . . . 1.28 111.168 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 97.4 mtt180 -142.12 68.87 1.32 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.554 -0.536 . . . . 3.38 109.554 -176.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--N 1.321 -0.637 0 CA-C-O 121.287 0.565 . . . . 2.03 110.51 179.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.845 0.355 . . . . 1.81 110.958 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.521 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 101.26 -31.39 8.72 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.794 -0.717 . . . . 1.36 113.966 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -106.47 -12.3 15.67 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.323 0.86 . . . . 2.66 113.323 -171.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -81.28 150.25 28.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.669 -0.493 . . . . 1.26 109.669 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -47.13 -63.81 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.74 110.812 178.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -55.96 -32.44 63.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.588 -0.733 . . . . 0.37 112.494 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.521 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 33.8 m -78.92 -9.73 59.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.124 0.416 . . . . 0.64 112.124 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 48.0 mt-30 -94.38 -31.59 13.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.39 0.614 . . . . 2.02 109.474 172.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 19' ' ' ALA . 42.3 t -76.76 141.0 16.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.85 109.988 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.3 t -136.09 5.59 3.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.469 0.652 . . . . 1.46 110.518 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -120.79 156.74 31.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.448 -0.796 . . . . 1.88 109.662 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.13 106.83 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.004 -0.739 . . . . 1.08 109.004 170.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.3 p -57.08 -24.79 56.45 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.256 0.836 . . . . 0.99 113.256 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.514 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 77.37 19.27 76.85 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.582 -0.818 . . . . 0.88 113.005 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.93 2.23 5.96 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.188 0.81 . . . . 1.05 113.188 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.615 ' O ' HD13 ' A' ' 34' ' ' LEU . 14.0 m -103.43 135.08 45.71 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.72 -0.845 . . . . 0.78 108.72 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 m -51.59 -21.39 2.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.989 0.424 . . . . 1.64 110.649 172.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.4 m -82.14 -55.93 4.25 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.802 -0.635 . . . . 1.07 112.295 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.568 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 29.8 p -68.22 -13.65 62.4 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.796 -0.565 . . . . 0.7 111.966 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.6 mp -78.67 -11.84 59.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 1.14 110.957 175.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 1.41 111.426 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.182 0.515 . . . . 2.76 110.772 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 52.9 t -52.2 125.8 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.327 -0.852 . . . . 0.57 111.047 178.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.476 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 30.9 mt-10 -66.52 -18.35 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.143 -0.935 . . . . 1.91 111.346 -177.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 51' ' ' ARG . 26.2 mtm180 -103.72 33.74 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.343 0.592 . . . . 3.1 110.369 172.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -115.44 -23.55 8.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.304 -0.862 . . . . 1.79 109.577 168.432 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -84.34 120.04 25.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.513 -1.221 . . . . 2.9 110.238 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB3' HG12 ' A' ' 57' ' ' ILE . 53.2 t -54.59 130.4 39.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.172 0.51 . . . . 0.69 111.516 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.27 -25.69 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.527 -0.761 . . . . 1.28 111.232 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.0 ptt85 -142.42 72.46 1.38 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.802 0.81 . . . . 3.38 110.19 -175.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.403 HG12 ' HB3' ' A' ' 54' ' ' CYS . 70.2 mt . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 114.847 -1.07 . . . . 2.03 111.276 -178.493 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' N ' ' HG ' ' A' ' 21' ' ' CYS . 22.6 p . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.598 0.237 . . . . 1.81 110.887 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.475 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . 161.3 -32.31 0.36 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.664 -0.779 . . . . 1.36 113.835 177.768 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -104.18 -13.17 16.31 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.266 1.21 . . . . 2.66 114.266 -169.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 m -80.9 158.98 25.11 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.181 -0.608 . . . . 1.26 109.627 178.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -48.43 -61.23 2.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.74 110.643 175.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.14 -41.2 26.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.567 -0.742 . . . . 0.37 112.312 174.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.571 ' HG ' ' N ' ' A' ' 15' ' ' CYS . 83.9 m -77.89 -9.49 59.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.95 -0.568 . . . . 0.64 112.027 -176.319 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -87.74 -26.46 22.9 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.151 -0.685 . . . . 2.02 109.151 170.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 19' ' ' ALA . 53.5 t -77.13 139.21 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.659 -1.155 . . . . 0.85 110.72 -178.206 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -121.55 -20.81 6.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.415 -0.357 . . . . 1.46 111.765 -178.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -133.42 -170.08 2.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.061 0.458 . . . . 1.88 110.764 -177.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -65.56 112.3 3.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.64 -0.709 . . . . 1.08 109.622 171.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.441 ' SG ' HG11 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -63.79 -30.59 71.66 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.831 -0.622 . . . . 0.99 110.837 -179.602 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.01 6.07 82.56 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.723 -0.671 . . . . 0.88 113.951 174.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.01 31.97 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.541 0.671 . . . . 1.05 111.942 -178.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.2 m -124.35 155.43 38.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 119.411 -0.328 . . . . 0.78 110.259 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -46.9 -50.82 18.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.969 0.414 . . . . 1.64 111.21 178.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.431 ' HB ' ' HA ' ' A' ' 49' ' ' CYS . 7.7 m -77.05 -31.03 55.89 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.209 -0.451 . . . . 1.07 111.267 -179.493 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.2 m -68.45 -28.15 66.8 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.848 0.314 . . . . 0.7 111.848 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.7 mp -76.38 -13.29 60.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.8 0.333 . . . . 1.14 110.78 179.326 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.4 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.14 -0.482 . . . . 1.41 110.07 175.287 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.207 0.527 . . . . 2.76 111.074 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.431 ' HA ' ' HB ' ' A' ' 32' ' ' THR . 1.5 t -56.0 134.61 52.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.256 -0.884 . . . . 0.57 111.112 176.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.11 -22.23 66.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.286 -0.87 . . . . 1.91 111.171 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -96.27 37.86 1.23 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.058 -0.519 . . . . 3.1 109.895 178.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 -122.85 -24.72 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.382 0.611 . . . . 1.79 110.812 174.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -79.54 132.77 36.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.304 -0.862 . . . . 2.9 110.345 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.491 ' HB3' HG12 ' A' ' 57' ' ' ILE . 42.8 t -55.03 107.68 0.33 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.69 110.596 177.116 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.65 -15.55 59.78 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.171 0.51 . . . . 1.28 110.743 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -139.95 73.34 1.42 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.719 -0.845 . . . . 3.38 108.719 -175.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.491 HG12 ' HB3' ' A' ' 54' ' ' CYS . 20.8 mt . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.765 -0.652 . . . . 2.03 110.635 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.042 0.449 . . . . 1.81 110.754 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.57 1.89 67.31 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.799 -0.637 . . . . 1.36 113.169 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -113.19 -37.25 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.146 0.424 . . . . 2.66 112.146 -175.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 p -77.48 158.86 29.75 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.688 -0.405 . . . . 1.26 110.861 -174.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.689 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.67 -58.27 3.15 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 124.151 0.907 . . . . 0.74 111.968 -177.171 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . . . -51.2 -41.01 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.991 0.737 . . . . 0.37 112.991 -177.37 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.1 m -73.12 -20.3 60.96 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.012 0.434 . . . . 0.64 111.127 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -89.21 -31.54 17.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 2.02 110.571 178.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 19' ' ' ALA . 19.5 t -76.64 144.25 11.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.85 110.46 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -108.34 -25.18 11.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.771 0.32 . . . . 1.46 111.772 -179.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.442 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 30.7 mt-10 -108.45 157.82 18.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.3 0.571 . . . . 1.88 111.391 -175.421 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.5 p-10 -69.96 142.63 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.662 -0.699 . . . . 1.08 110.172 175.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 p -64.58 -22.17 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.958 0.725 . . . . 0.99 112.958 -173.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.99 21.03 80.17 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 121.047 -0.597 . . . . 0.88 113.455 -177.17 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.07 15.25 4.22 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.377 0.88 . . . . 1.05 113.377 179.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.565 ' O ' HD13 ' A' ' 34' ' ' LEU . 14.3 m -109.76 141.51 42.28 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.858 -0.794 . . . . 0.78 108.858 174.129 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -50.08 -25.71 3.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.019 0.438 . . . . 1.64 110.682 173.046 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -57.64 3.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.81 -0.632 . . . . 1.07 111.868 177.319 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 31.8 p -69.6 -14.69 62.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.897 -0.321 . . . . 0.7 111.723 -175.499 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.5 mp -74.66 -12.06 60.34 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.687 -0.233 . . . . 1.14 111.519 175.317 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.599 -0.273 . . . . 1.41 110.468 -179.43 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.8 mttm . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.073 0.463 . . . . 2.76 110.62 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 42.2 t -53.11 110.96 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.067 -0.969 . . . . 0.57 110.425 176.244 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -64.1 -12.54 40.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.067 0.46 . . . . 1.91 111.671 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -86.99 -1.73 58.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.041 -0.527 . . . . 3.1 111.005 178.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' NH1' HG11 ' A' ' 23' ' ' VAL . 11.4 mmp_? -103.22 0.8 32.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.594 0.711 . . . . 1.79 109.403 176.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' O ' HD22 ' A' ' 55' ' ' LEU . 69.4 mtp180 -80.16 126.81 31.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.873 -1.058 . . . . 2.9 108.255 170.422 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.8 t -44.68 116.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.184 0.928 . . . . 0.69 112.029 -174.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 3.7 mm? -75.22 -23.39 57.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.602 -0.726 . . . . 1.28 110.635 -179.019 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -129.03 67.23 1.42 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.778 -0.646 . . . . 3.38 109.467 -177.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.562 -0.744 . . . . 2.03 109.797 174.925 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' C ' ' H ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.511 -0.553 0 N-CA-C 110.329 -0.248 . . . . 1.81 110.329 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 21' ' ' CYS . . . -59.79 39.27 0.03 OUTLIER Glycine 0 CA--C 1.526 0.739 0 O-C-N 124.901 1.375 . . . . 1.36 115.352 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 15' ' ' CYS . 35.1 mt-10 -114.43 -17.99 11.62 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.708 -0.479 . . . . 2.66 109.708 170.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.7 m -81.48 152.52 27.3 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.389 -0.597 . . . . 1.26 109.389 176.544 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.74 -64.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.33 0.394 . . . . 0.74 111.757 -179.329 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.35 -34.9 72.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.37 111.907 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HB3' ' HA2' ' A' ' 16' ' ' GLY . 61.7 m -73.81 -18.47 60.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.359 -0.382 . . . . 0.64 111.537 -179.382 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 78.6 mt-30 -83.28 -29.1 28.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.489 0.661 . . . . 2.02 109.486 174.467 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 19' ' ' ALA . 59.9 t -73.22 143.1 14.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 114.854 -1.066 . . . . 0.85 109.151 178.072 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.481 HG23 ' HG3' ' A' ' 25' ' ' GLU . 7.3 t -129.84 -9.56 4.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.995 0.426 . . . . 1.46 111.44 -177.072 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 24' ' ' THR . 47.2 mt-10 -124.73 178.39 5.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.779 0.323 . . . . 1.88 110.433 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.66 111.81 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.071 -0.513 . . . . 1.08 110.005 175.184 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -60.99 -22.73 64.78 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.102 -0.499 . . . . 0.99 112.035 -177.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.92 12.26 84.59 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.953 -0.642 . . . . 0.88 112.976 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.48 8.9 10.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.701 0.63 . . . . 1.05 112.701 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 12.4 m -107.57 140.59 40.33 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.312 -0.995 . . . . 0.78 108.312 173.249 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -51.14 -30.42 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.139 0.495 . . . . 1.64 110.256 175.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -76.72 -54.74 6.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.581 -0.736 . . . . 1.07 111.479 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 15.8 p -72.32 -4.76 31.71 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.953 -0.299 . . . . 0.7 111.739 -175.454 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 mt -77.35 -1.92 32.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.823 0.344 . . . . 1.14 111.336 177.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.41 . . . . 1.41 110.088 177.309 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.483 0.659 . . . . 2.76 111.743 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 33.8 t -54.58 123.89 14.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.982 -1.008 . . . . 0.57 109.894 171.452 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.98 -15.34 63.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.028 0.442 . . . . 1.91 110.866 -178.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -96.29 29.59 2.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.235 0.54 . . . . 3.1 109.866 176.525 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -119.01 -45.51 2.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.502 -0.772 . . . . 1.79 110.078 173.537 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 53' ' ' ARG . 13.8 ptm180 -77.14 140.5 40.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.47 -0.786 . . . . 2.9 109.924 176.211 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 57' ' ' ILE . 11.9 t -51.84 150.13 4.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.31 -0.859 . . . . 0.69 111.958 -176.43 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.62 -63.53 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.514 -0.767 . . . . 1.28 110.605 -177.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -101.81 -3.72 27.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.005 0.431 . . . . 3.38 110.89 -178.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.49 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 69.2 mt . . . . . 0 CA--C 1.53 0.2 0 CA-C-N 115.095 -0.957 . . . . 2.03 110.549 -175.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 9.0 p . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 112.002 0.371 . . . . 1.81 112.002 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.02 -9.63 45.18 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 121.004 -0.617 . . . . 1.36 113.582 -178.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -105.16 -31.21 9.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.125 0.462 . . . . 2.66 111.939 -173.588 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 p -76.07 147.38 38.7 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.355 -0.538 . . . . 1.26 109.645 -177.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.53 -47.32 14.32 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.611 0.569 . . . . 0.74 111.235 -177.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.61 -35.66 61.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.651 -0.704 . . . . 0.37 112.682 -177.12 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.1 m -69.95 -29.78 66.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 0.64 111.297 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -96.55 -8.95 30.6 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.062 -0.517 . . . . 2.02 111.568 -177.174 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 19' ' ' ALA . 68.9 t -74.96 125.48 34.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.999 -0.371 . . . . 0.85 109.999 176.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -111.92 -14.19 13.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.934 0.397 . . . . 1.46 111.298 -178.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.54 153.78 24.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.198 -0.455 . . . . 1.88 110.649 -176.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -66.61 113.06 4.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.333 -0.988 . . . . 1.08 108.333 168.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 p -59.23 -23.27 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.735 -0.666 . . . . 0.99 112.654 -171.201 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.37 16.3 80.69 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.943 -0.646 . . . . 0.88 113.295 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.39 31.62 3.44 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.661 0.615 . . . . 1.05 112.661 178.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.556 ' O ' HD13 ' A' ' 34' ' ' LEU . 27.0 m -122.22 141.97 50.92 Favored 'General case' 0 CA--C 1.515 -0.365 0 N-CA-C 108.669 -0.863 . . . . 0.78 108.669 170.088 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.485 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 24.2 t -51.51 -24.3 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.02 0.438 . . . . 1.64 110.389 173.114 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -56.91 3.75 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.724 -0.671 . . . . 1.07 112.244 178.452 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 21.6 p -72.37 -6.03 40.52 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.935 0.346 . . . . 0.7 111.935 -175.704 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.6 mp -79.44 -27.91 41.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.28 0.562 . . . . 1.14 110.028 171.091 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 31' ' ' SER . 71.3 mt . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.715 -0.675 . . . . 1.41 110.404 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.564 -0.162 . . . . 2.76 110.564 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 54.0 t -49.8 126.17 13.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.143 -0.48 . . . . 0.57 110.239 176.33 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 40.2 mt-10 -69.23 1.49 3.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 1.91 111.57 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 51' ' ' ARG . 40.9 mmt-85 -104.4 15.41 28.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.073 0.463 . . . . 3.1 110.037 173.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.543 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -116.34 -17.36 10.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.446 0.641 . . . . 1.79 110.095 174.655 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 16.2 ptm180 -85.71 119.27 25.86 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.938 -1.028 . . . . 2.9 109.779 176.108 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 45.3 t -53.24 117.44 3.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.063 0.459 . . . . 0.69 110.993 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.33 -2.17 48.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 1.28 111.163 -178.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 29.5 mtp180 -144.46 69.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 3.38 109.508 178.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.0 mt . . . . . 0 C--N 1.321 -0.636 0 CA-C-O 121.215 0.531 . . . . 2.03 110.423 -179.467 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.224 -0.251 0 N-CA-C 112.067 0.395 . . . . 1.81 112.067 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.592 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 78.49 -5.26 56.96 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.993 -0.623 . . . . 1.36 113.692 -177.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -109.75 -31.05 7.59 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 117.398 0.599 . . . . 2.66 112.314 -175.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.2 m -75.66 157.66 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.337 -0.616 . . . . 1.26 109.337 -179.831 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.87 -65.82 0.48 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.293 0.371 . . . . 0.74 111.846 -179.227 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.24 68.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.156 0.503 . . . . 0.37 111.761 178.094 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.592 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 49.2 m -77.09 -17.78 58.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.162 -0.472 . . . . 0.64 111.895 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 77.4 mt-30 -87.58 -23.9 24.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.303 0.573 . . . . 2.02 109.606 174.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 19' ' ' ALA . 89.2 t -71.2 139.93 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.082 -0.963 . . . . 0.85 109.5 177.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 p -108.75 -34.97 6.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.138 0.422 . . . . 1.46 112.138 -174.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -116.79 172.76 7.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.675 -0.239 . . . . 1.88 110.403 -177.352 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 1.7 p30 -68.32 134.31 50.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.307 0.575 . . . . 1.08 109.876 177.659 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 p -63.63 -24.6 67.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.479 -0.782 . . . . 0.99 112.771 -174.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.1 20.22 77.73 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 120.9 -0.667 . . . . 0.88 113.318 -177.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.33 7.69 4.59 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.427 0.899 . . . . 1.05 113.427 179.337 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.568 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 12.5 m -103.77 132.56 49.91 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.048 -1.093 . . . . 0.78 108.048 174.658 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -51.68 -22.95 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.301 0.572 . . . . 1.64 110.619 174.174 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -78.0 -52.46 8.76 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.351 -0.84 . . . . 1.07 111.407 175.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.568 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 20.6 p -73.52 -12.54 60.81 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.256 0.465 . . . . 0.7 112.256 -176.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.3 mp -75.86 -7.23 54.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 1.14 110.93 175.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.369 -0.378 . . . . 1.41 110.191 177.671 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 mttp . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.045 0.45 . . . . 2.76 111.281 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 49.9 t -53.49 122.38 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.805 . . . . 0.57 110.864 176.069 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 40.6 mt-10 -65.27 -19.88 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.86 -0.609 . . . . 1.91 111.092 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.33 22.39 5.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.149 0.499 . . . . 3.1 110.247 176.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -123.44 -15.56 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 1.79 110.661 174.433 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.0 ptp180 -83.78 136.69 34.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.562 -0.745 . . . . 2.9 109.726 178.649 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.51 120.23 5.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 0.69 111.284 178.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.1 mt -78.43 -22.29 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.585 -0.734 . . . . 1.28 110.782 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -147.39 77.79 1.45 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.337 -0.616 . . . . 3.38 109.337 -173.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.818 -0.628 . . . . 2.03 110.884 179.116 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.0 -0.44 . . . . 17.98 112.0 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.09 -25.73 73.26 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.043 2.496 . . . . 17.34 112.596 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.714 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.6 pt? -102.4 13.06 35.58 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.145 0.497 . . . . 17.47 110.422 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.4 -170.95 13.55 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.749 -0.738 . . . . 15.28 112.465 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 t -124.84 16.62 8.65 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.142 0.496 . . . . 13.77 109.851 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -97.21 144.45 27.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 12.98 110.429 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -109.12 134.78 51.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.34 -0.391 . . . . 10.97 110.305 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -93.44 -12.4 29.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.103 0.478 . . . . 11.6 110.744 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.9 tpt -160.62 111.02 1.79 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.918 -0.583 . . . . 10.21 109.904 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -81.57 97.0 7.63 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.912 -0.403 . . . . 6.41 109.912 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -83.81 76.73 9.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.054 -0.521 . . . . 9.52 110.676 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 56.54 55.03 6.81 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.479 0.657 . . . . 8.89 110.305 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.95 155.0 15.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.197 -0.91 . . . . 4.24 109.026 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' HA3' ' SG ' ' A' ' 21' ' ' CYS . . . -79.62 172.6 55.02 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.103 -0.57 . . . . 2.15 113.247 -175.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -57.55 -24.83 58.31 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.724 0.41 . . . . 1.81 111.785 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 4.16 90.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.048 -0.596 . . . . 1.36 112.191 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -113.27 -53.67 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.74 0.274 . . . . 2.66 111.74 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 p -79.3 154.41 29.13 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.911 -0.315 . . . . 1.26 111.609 -170.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.42 -53.32 8.88 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.811 0.694 . . . . 0.74 112.567 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.39 58.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.899 0.704 . . . . 0.37 112.899 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.41 ' SG ' ' HA3' ' A' ' 14' ' ' GLY . 91.3 m -77.92 -11.23 59.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.751 0.31 . . . . 0.64 111.494 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -87.11 -31.95 20.17 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.956 -0.757 . . . . 2.02 108.956 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 19' ' ' ALA . 47.8 t -73.52 139.45 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.806 -1.088 . . . . 0.85 109.727 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.2 p -115.95 -31.2 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.86 -0.336 . . . . 1.46 111.819 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -114.89 -177.55 3.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.073 0.463 . . . . 1.88 110.716 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.516 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.3 p-10 -66.76 120.6 13.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.207 0.527 . . . . 1.08 109.977 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 p -61.16 -23.2 65.38 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.764 -0.653 . . . . 0.99 111.779 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.11 12.49 82.37 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.087 -0.577 . . . . 0.88 113.61 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.47 25.05 4.11 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.462 0.912 . . . . 1.05 113.462 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.594 ' O ' HD13 ' A' ' 34' ' ' LEU . 39.2 m -109.04 144.19 37.37 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.916 -0.772 . . . . 0.78 108.916 172.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -48.47 -34.32 10.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.182 0.515 . . . . 1.64 110.183 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -79.71 -51.14 9.59 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.436 -0.802 . . . . 1.07 112.23 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.617 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 14.7 p -74.39 -0.69 18.08 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.87 -0.519 . . . . 0.7 112.377 -174.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.8 mp -79.65 -21.73 44.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.384 -0.598 . . . . 1.14 109.384 167.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.8 mt -91.23 25.94 2.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.513 -0.767 . . . . 1.41 111.299 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 33' ' ' CYS . 13.7 mm100 -79.53 100.0 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.078 0.466 . . . . 3.64 109.825 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -80.19 112.47 30.77 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.707 -0.679 . . . . 4.23 109.869 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.56 -24.67 48.38 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.722 2.282 . . . . 4.36 112.058 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -86.96 62.08 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.307 -0.627 . . . . 7.22 109.307 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -80.64 130.82 35.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.641 -0.709 . . . . 6.75 109.948 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 m -122.84 25.69 3.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.914 0.388 . . . . 7.39 111.132 -176.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.97 -170.85 2.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.29 -0.414 . . . . 7.54 110.414 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -139.15 69.8 1.37 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.402 0.62 . . . . 6.99 109.643 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.31 -124.55 0.98 Allowed Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.446 -0.797 . . . . 4.95 111.437 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 6.9 mp 68.05 110.74 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.31 0.576 . . . . 4.43 111.913 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -84.3 9.59 12.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 4.83 110.837 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' A' ' 45' ' ' LEU . 20.2 p -87.13 82.63 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.872 -0.604 . . . . 2.93 109.764 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 59.2 mttp -140.97 169.5 17.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.833 -0.621 . . . . 2.76 111.047 -177.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.617 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.3 t -53.11 119.27 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.246 -0.888 . . . . 0.57 111.271 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.96 3.44 10.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.467 -0.788 . . . . 1.91 111.021 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.3 mmp_? -98.79 22.25 10.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.49 0.662 . . . . 3.1 109.37 171.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -107.94 -14.06 14.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.047 0.927 . . . . 1.79 108.647 169.257 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -89.06 122.71 32.66 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.997 -1.456 . . . . 2.9 109.719 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.423 ' HB3' HG12 ' A' ' 57' ' ' ILE . 21.1 t -50.77 129.81 23.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.676 . . . . 0.69 111.807 -177.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.89 -19.21 60.24 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.13 -0.487 . . . . 1.28 110.806 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' O ' HG22 ' A' ' 58' ' ' VAL . 48.9 mtm180 -138.14 67.5 1.41 Allowed 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.144 -1.058 . . . . 3.38 108.144 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.427 ' H ' HG13 ' A' ' 57' ' ' ILE . 27.9 mt -50.15 101.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.38 0 O-C-N 124.082 0.864 . . . . 2.03 111.521 -175.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 56' ' ' ARG . 15.5 m -138.12 8.5 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.581 -0.736 . . . . 3.59 110.915 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.69 45.51 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.4 0.619 . . . . 6.43 110.456 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -80.17 66.31 5.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 8.03 110.882 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.476 -0.773 . . . . 7.87 111.387 178.239 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.235 -0.346 . . . . 17.98 112.235 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.81 -23.08 19.45 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.912 2.408 . . . . 17.34 112.602 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 tp 64.36 -83.29 0.03 OUTLIER 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.704 -0.68 . . . . 17.47 111.792 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.91 37.0 2.03 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.077 -0.582 . . . . 15.28 111.854 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m -66.48 -35.51 80.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 13.77 111.051 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -79.3 63.32 3.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.28 0.562 . . . . 12.98 111.137 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.415 ' H ' ' HG2' ' A' ' 7' ' ' GLN . 12.2 pt20 -88.54 54.01 2.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.422 -0.808 . . . . 10.97 109.739 176.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 8' ' ' ARG . 17.7 ttm-85 -78.14 128.47 33.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.097 -0.956 . . . . 11.6 110.288 -176.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.5 mtt 66.75 108.01 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.731 0.645 . . . . 10.21 110.454 -175.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -80.33 47.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.998 -0.546 . . . . 6.41 111.952 -174.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -86.12 -11.57 52.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.474 0.654 . . . . 9.52 109.386 173.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -82.71 -1.34 51.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.305 -0.861 . . . . 8.89 110.311 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.2 m -141.41 -174.33 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.435 -0.802 . . . . 4.24 109.032 176.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.88 -142.39 5.78 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.225 -0.988 . . . . 2.15 112.098 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 23.7 p -58.5 -28.01 65.0 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.234 0.457 . . . . 1.81 112.234 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.1 2.88 90.68 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.851 -0.69 . . . . 1.36 112.591 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -114.6 -40.14 3.64 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.055 0.391 . . . . 2.66 112.055 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -73.97 160.09 31.83 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.762 -0.199 . . . . 1.26 111.274 -172.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.25 -54.56 6.87 Favored 'General case' 0 C--N 1.333 -0.131 0 O-C-N 123.878 0.736 . . . . 0.74 111.582 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.07 -34.22 42.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.37 112.401 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.7 m -73.49 -28.1 61.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.716 0.293 . . . . 0.64 111.446 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -87.87 -22.57 24.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.249 -0.432 . . . . 2.02 110.316 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 19' ' ' ALA . 61.4 t -72.35 134.65 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.905 -0.589 . . . . 0.85 110.141 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 p -107.85 -35.44 6.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.836 0.31 . . . . 1.46 111.836 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -125.42 -178.9 4.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.752 0.31 . . . . 1.88 110.715 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -61.78 118.69 7.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.301 0.572 . . . . 1.08 110.257 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -62.34 -24.78 67.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.446 -0.797 . . . . 0.99 112.464 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 80.91 12.49 82.61 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.923 -0.656 . . . . 0.88 113.61 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.93 12.25 7.22 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.641 0.978 . . . . 1.05 113.641 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.617 ' O ' HD13 ' A' ' 34' ' ' LEU . 13.8 m -108.75 133.9 52.19 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.342 -0.984 . . . . 0.78 108.342 173.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 m -51.3 -23.57 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 1.64 110.699 174.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.8 m -79.36 -55.2 5.24 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.702 -0.681 . . . . 1.07 111.749 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 20.7 p -70.55 -8.47 51.65 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.969 0.414 . . . . 0.7 111.511 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.1 mp -78.58 -18.11 55.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 1.14 110.728 172.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.45 -64.01 1.24 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.464 -0.335 . . . . 1.41 110.342 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 53.14 65.71 1.44 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.848 -0.615 . . . . 3.64 110.404 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.28 122.58 82.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.614 -0.721 . . . . 4.23 110.514 -177.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 39' ' ' HIS . 55.3 Cg_endo -72.54 109.47 2.77 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.383 2.055 . . . . 4.36 111.523 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 38' ' ' PRO . 50.6 t-80 73.94 133.38 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.777 0.673 . . . . 7.22 110.807 -177.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -66.04 103.29 0.93 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 6.75 111.181 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.5 t -86.55 -28.33 5.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 7.39 109.646 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.03 87.71 2.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.514 -0.767 . . . . 7.54 109.963 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -59.22 114.61 2.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.688 -0.687 . . . . 6.99 110.597 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.8 -32.24 2.94 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.84 -0.904 . . . . 4.95 110.84 -174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -83.16 111.46 18.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.593 -0.892 . . . . 4.43 108.593 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -83.91 93.9 8.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.436 -0.347 . . . . 4.83 110.279 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.2 t -84.15 74.98 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.44 0.638 . . . . 2.93 110.125 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -142.15 138.29 31.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.183 -0.917 . . . . 2.76 110.033 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.3 t -52.94 130.97 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.587 -0.733 . . . . 0.57 111.109 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.76 -15.47 53.53 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.815 -0.629 . . . . 1.91 111.51 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.538 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -97.0 34.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.439 0.638 . . . . 3.1 110.379 177.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.661 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -120.55 -30.37 4.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.639 -0.709 . . . . 1.79 109.667 172.242 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -82.87 115.5 21.78 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.899 -1.046 . . . . 2.9 109.793 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.62 128.59 26.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.528 -0.76 . . . . 0.69 111.421 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD11 ' NH2' ' A' ' 51' ' ' ARG . 3.0 mm? -79.73 -5.19 54.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.164 -0.471 . . . . 1.28 110.963 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 27.1 mtp180 -142.92 67.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.028 -0.533 . . . . 3.38 110.214 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -67.75 98.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.157 0.504 . . . . 2.03 110.13 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.4 t -94.59 74.42 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.126 -0.694 . . . . 3.59 109.126 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -123.88 100.18 6.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.646 -0.706 . . . . 6.43 110.24 -176.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -93.38 151.82 19.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.516 -0.765 . . . . 8.03 110.733 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.247 0.952 0 N-CA-C 108.884 -0.784 . . . . 7.87 108.884 177.853 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.813 -0.515 . . . . 17.98 111.813 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.16 89.49 0.31 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.625 2.216 . . . . 17.34 112.351 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.9 tp -120.03 -27.78 5.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.121 0.486 . . . . 17.47 110.312 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.639 ' O ' ' HD2' ' A' ' 8' ' ' ARG . . . 96.17 -9.03 67.55 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.729 -0.748 . . . . 15.28 112.78 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 p -100.89 -48.9 4.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.678 0.275 . . . . 13.77 111.252 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.77 141.23 58.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 12.98 111.384 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 63.22 16.15 9.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.422 -0.808 . . . . 10.97 111.808 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.639 ' HD2' ' O ' ' A' ' 4' ' ' GLY . 98.9 mtt180 -127.6 107.38 9.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.288 -0.414 . . . . 11.6 109.906 176.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -161.09 -24.53 0.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.593 -0.276 . . . . 10.21 110.638 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 91.4 m-85 68.93 -61.06 0.43 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.585 0.754 . . . . 6.41 111.934 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 70.28 -48.16 0.64 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.753 0.821 . . . . 9.52 111.956 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -80.75 -36.04 32.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.032 0.444 . . . . 8.89 110.874 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.1 t -93.42 -38.92 10.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.468 0.651 . . . . 4.24 110.475 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 10' ' ' PHE . . . 117.22 -136.86 12.95 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.999 -0.84 . . . . 2.15 110.999 -176.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -63.31 -29.18 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.927 0.363 . . . . 1.81 111.37 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.45 -6.96 74.74 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.231 -0.509 . . . . 1.36 113.411 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -113.75 -30.25 6.83 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.053 0.76 . . . . 2.66 113.053 -173.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -75.46 166.04 24.19 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.814 -0.355 . . . . 1.26 111.245 -173.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -47.38 -60.45 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.864 0.728 . . . . 0.74 111.624 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.84 -33.45 23.81 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.78 0.659 . . . . 0.37 112.78 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.6 m -69.49 -31.68 70.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.64 111.268 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -89.62 -17.26 28.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.289 -0.414 . . . . 2.02 110.938 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' ALA . 60.4 t -74.75 128.59 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.514 -0.312 . . . . 0.85 110.229 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 p -121.31 -12.61 8.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.224 0.535 . . . . 1.46 110.757 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -120.78 176.95 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 1.88 110.48 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.1 p-10 -67.57 110.25 3.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.055 -0.52 . . . . 1.08 109.644 171.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 p -59.12 -28.57 66.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.646 -0.706 . . . . 0.99 111.977 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.61 13.06 65.8 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.817 -0.706 . . . . 0.88 113.205 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.67 18.5 6.8 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.195 0.813 . . . . 1.05 113.195 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.567 ' O ' HD13 ' A' ' 34' ' ' LEU . 4.6 m -123.27 133.31 54.19 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.729 -0.841 . . . . 0.78 108.729 173.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 t -52.57 -19.58 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.049 0.452 . . . . 1.64 110.982 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.86 -58.14 3.45 Favored 'General case' 0 N--CA 1.433 -1.306 0 C-N-CA 123.124 0.57 . . . . 1.07 111.232 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.4 p -69.59 -15.32 63.19 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.66 0.267 . . . . 0.7 111.397 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.1 mp -75.04 -11.02 60.01 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.477 -0.329 . . . . 1.14 111.209 176.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -75.99 -23.22 55.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.347 . . . . 1.41 110.143 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 54.1 74.85 0.31 Allowed 'General case' 0 N--CA 1.462 0.155 0 O-C-N 123.568 0.543 . . . . 3.64 110.236 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 72.4 mt -79.22 112.28 26.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.239 -0.437 . . . . 4.23 110.465 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.18 60.11 7.67 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.905 2.403 . . . . 4.36 112.368 -176.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -129.55 90.78 3.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.103 -0.499 . . . . 7.22 110.914 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.34 -25.68 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.51 -0.922 . . . . 6.75 108.51 171.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -111.45 140.12 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 115.027 -0.988 . . . . 7.39 108.931 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 55.98 62.71 2.27 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.304 0.573 . . . . 7.54 110.237 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -108.56 77.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.611 -0.722 . . . . 6.99 110.588 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -99.2 -171.37 30.97 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.742 -0.742 . . . . 4.95 111.986 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.1 mp 69.19 130.93 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.342 0.657 . . . . 4.43 111.86 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -86.72 34.16 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.311 0.576 . . . . 4.83 110.618 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.8 m -89.78 22.65 3.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.462 0.649 . . . . 2.93 110.013 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -93.65 -172.54 2.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.189 -0.914 . . . . 2.76 110.044 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.565 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 46.1 t -45.82 119.19 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.51 0.506 . . . . 0.57 111.381 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 41.9 mt-10 -66.28 -20.24 66.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.942 -0.572 . . . . 1.91 111.668 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -90.94 35.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.294 0.568 . . . . 3.1 110.282 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 mmm-85 -110.15 -30.77 7.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.594 -0.73 . . . . 1.79 109.805 172.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 53' ' ' ARG . 17.5 ptt-85 -81.23 127.11 32.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.164 -0.925 . . . . 2.9 109.859 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 48.5 t -53.43 127.31 24.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.912 -0.586 . . . . 0.69 111.236 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.34 -20.12 59.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 1.28 110.569 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -110.38 3.01 19.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.251 -0.431 . . . . 3.38 110.285 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 58' ' ' VAL . 5.8 mt 39.78 -139.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 114.868 -1.06 . . . . 2.03 111.639 -176.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.628 ' H ' HG22 ' A' ' 57' ' ' ILE . 19.0 t -92.59 -4.59 10.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.369 0.605 . . . . 3.59 110.249 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -57.46 -56.9 15.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.594 -0.73 . . . . 6.43 109.501 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 51.49 54.45 11.03 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.501 -0.772 . . . . 8.03 111.133 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.645 -0.707 . . . . 7.87 109.099 178.191 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.866 -0.494 . . . . 17.98 111.866 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 32.5 Cg_exo -57.56 -46.04 29.91 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.683 2.255 . . . . 17.34 112.184 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.7 tp -67.21 94.12 0.34 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.089 -0.505 . . . . 17.47 109.84 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.48 -44.84 1.02 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.966 -0.853 . . . . 15.28 110.966 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -73.21 -37.27 66.5 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.842 -0.799 . . . . 13.77 108.842 172.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -145.63 -168.97 3.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.667 -1.151 . . . . 12.98 108.352 174.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -70.36 0.26 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.615 -0.513 . . . . 10.97 109.615 176.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 tpp180 45.33 66.75 0.84 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.358 -0.837 . . . . 11.6 111.705 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.5 tpp -160.6 -48.86 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.357 -0.838 . . . . 10.21 109.874 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' CG ' ' HA3' ' A' ' 16' ' ' GLY . 70.7 m-85 -80.2 128.99 34.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.532 -0.758 . . . . 6.41 110.244 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -154.69 -23.3 0.12 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.229 -0.441 . . . . 9.52 110.787 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 6.0 tpm_? -88.38 -31.58 18.79 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.716 -0.476 . . . . 8.89 109.716 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -102.51 32.34 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.778 -0.646 . . . . 4.24 110.958 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.87 -137.79 27.42 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.88 -0.676 . . . . 2.15 112.183 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -29.15 68.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.432 . . . . 1.81 111.495 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 72.49 -0.62 41.01 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.932 -0.577 . . . . 1.36 113.732 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -108.68 -25.39 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.144 0.472 . . . . 2.66 112.067 -176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.5 m -77.91 157.6 29.73 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.653 -0.499 . . . . 1.26 109.653 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -46.29 -62.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.676 0.274 . . . . 0.74 111.455 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.43 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.37 111.916 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 53.2 m -75.86 -15.65 60.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.747 0.308 . . . . 0.64 111.666 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 48.2 mt-30 -90.29 -17.26 27.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.492 0.663 . . . . 2.02 109.808 172.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 19' ' ' ALA . 60.1 t -77.35 136.28 24.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.308 -0.86 . . . . 0.85 109.013 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.443 HG23 ' HG3' ' A' ' 25' ' ' GLU . 9.8 t -132.63 -15.51 2.73 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.716 -0.394 . . . . 1.46 111.847 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' HG3' HG23 ' A' ' 24' ' ' THR . 49.7 mt-10 -132.22 178.33 6.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.772 0.32 . . . . 1.88 110.643 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -66.42 109.33 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.838 0.828 . . . . 1.08 110.124 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -26.18 68.67 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.972 -1.013 . . . . 0.99 112.212 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.68 9.93 84.95 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.868 -0.682 . . . . 0.88 113.836 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.58 34.9 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.476 0.638 . . . . 1.05 111.828 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' O ' HD13 ' A' ' 34' ' ' LEU . 2.7 m -132.81 152.74 51.75 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 119.376 -0.345 . . . . 0.78 110.283 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 t -48.71 -49.36 38.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 1.64 111.045 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -76.12 -34.89 59.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.981 0.42 . . . . 1.07 111.291 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -64.76 -31.76 73.13 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.895 0.379 . . . . 0.7 110.857 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.1 mp -78.14 0.54 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 1.14 111.929 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.0 mt -77.73 -25.81 49.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.2 -0.296 . . . . 1.41 110.2 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 54.14 51.31 14.74 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.085 0.469 . . . . 3.64 110.929 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.2 mt -81.95 120.43 77.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.59 -0.732 . . . . 4.23 110.676 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.02 -15.71 36.22 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.56 2.174 . . . . 4.36 111.893 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -132.25 158.07 42.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.801 -0.815 . . . . 7.22 108.801 174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.89 -58.11 3.93 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.57 -0.452 . . . . 6.75 110.379 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 t 48.07 51.06 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-O 121.585 0.707 . . . . 7.39 110.51 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.66 35.24 3.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.764 . . . . 7.54 111.189 -177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.8 t -73.13 -49.56 27.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.765 -0.457 . . . . 6.99 109.765 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.99 -35.11 3.27 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.998 -0.62 . . . . 4.95 111.761 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.75 135.11 35.5 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.153 -0.314 . . . . 4.43 110.153 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -85.3 51.46 2.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.936 0.874 . . . . 4.83 109.866 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.7 p -88.67 68.45 8.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.165 -0.925 . . . . 2.93 111.472 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -133.7 134.08 42.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.475 -0.784 . . . . 2.76 109.194 174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t -52.74 135.31 35.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.57 111.556 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' C ' ' HE ' ' A' ' 51' ' ' ARG . 20.0 mm-40 -63.88 -17.67 63.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.085 -0.961 . . . . 1.91 111.625 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HE ' ' C ' ' A' ' 50' ' ' GLU . 2.3 mmp_? -100.09 16.44 24.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.1 0.476 . . . . 3.1 110.639 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 52' ' ' ARG . 1.7 mmp_? -116.83 25.23 10.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.588 0.709 . . . . 1.79 109.521 174.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -148.76 131.54 16.02 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.948 -1.024 . . . . 2.9 109.295 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.4 t -53.69 145.84 14.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.804 -0.634 . . . . 0.69 111.78 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.1 mm? -80.86 -4.83 56.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.376 -0.829 . . . . 1.28 110.07 -178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -125.3 -47.87 1.73 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.999 -0.546 . . . . 3.38 110.532 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 mt -85.34 119.13 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 2.03 110.872 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 58' ' ' VAL . 7.7 p -80.63 76.9 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 122.463 1.125 . . . . 3.59 109.593 175.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -82.93 -25.8 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.895 -1.048 . . . . 6.43 110.428 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -123.22 144.63 49.25 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.9 -0.591 . . . . 8.03 109.539 -176.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.59 -0.719 . . . . 7.87 109.636 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.658 -0.577 . . . . 17.98 111.658 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.08 142.47 42.22 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.401 2.067 . . . . 17.34 112.206 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.7 109.17 15.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.674 -0.862 . . . . 17.47 108.674 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.63 64.18 0.23 Allowed Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 111.291 -0.724 . . . . 15.28 111.291 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -133.57 52.97 2.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.103 0.478 . . . . 13.77 110.128 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.479 ' OE2' ' HD3' ' A' ' 8' ' ' ARG . 9.0 pt-20 -91.14 115.37 27.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.316 0.579 . . . . 12.98 110.532 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -94.93 54.49 1.72 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.58 0.705 . . . . 10.97 109.185 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.479 ' HD3' ' OE2' ' A' ' 6' ' ' GLU . 12.8 ptt180 -58.24 142.8 46.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.777 -1.101 . . . . 11.6 111.994 -174.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 87.7 mmm 59.36 82.9 0.14 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.593 -0.73 . . . . 10.21 110.349 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.458 ' C ' ' H ' ' A' ' 12' ' ' ARG . 89.2 m-85 -78.3 -15.98 58.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.78 -0.646 . . . . 6.41 111.884 -173.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 34.6 mmtp 69.39 -10.35 0.56 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.244 0.618 . . . . 9.52 111.419 -175.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' H ' ' C ' ' A' ' 10' ' ' PHE . 64.1 mtp180 -149.15 178.32 8.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.608 -0.886 . . . . 8.89 108.608 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 m 49.08 -154.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.941 0.896 . . . . 4.24 112.799 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.47 158.59 39.74 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.932 -0.651 . . . . 2.15 113.839 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -59.76 -30.46 68.88 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.12 0.785 . . . . 1.81 113.12 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.54 -5.08 85.59 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.869 -0.681 . . . . 1.36 113.249 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -110.49 -34.59 6.27 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.548 0.573 . . . . 2.66 112.548 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -76.59 166.76 22.94 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 111.812 0.301 . . . . 1.26 111.812 -172.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -48.28 -55.53 10.35 Favored 'General case' 0 C--O 1.225 -0.228 0 O-C-N 123.718 0.636 . . . . 0.74 111.692 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -54.12 -30.34 48.4 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.465 0.542 . . . . 0.37 112.465 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.2 m -77.26 -26.5 52.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.329 -0.396 . . . . 0.64 111.517 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -86.78 -29.48 22.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.147 -0.478 . . . . 2.02 110.169 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 19' ' ' ALA . 49.6 t -72.3 134.53 29.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.114 -0.698 . . . . 0.85 109.114 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.2 p -108.2 -32.06 7.65 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.936 0.347 . . . . 1.46 111.936 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -127.19 -168.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.208 0.528 . . . . 1.88 111.101 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.84 117.96 6.56 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.402 -0.817 . . . . 1.08 110.289 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 p -61.9 -26.07 67.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.627 -0.715 . . . . 0.99 112.007 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 85.18 12.75 72.88 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.872 -0.68 . . . . 0.88 113.118 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.84 6.24 6.66 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.577 0.955 . . . . 1.05 113.577 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.637 ' O ' HD13 ' A' ' 34' ' ' LEU . 21.0 m -103.86 138.03 41.02 Favored 'General case' 0 CA--C 1.515 -0.393 0 O-C-N 121.499 -0.751 . . . . 0.78 109.408 175.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 t -51.75 -26.81 10.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.388 0.613 . . . . 1.64 110.0 172.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -80.19 -55.06 5.19 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.36 -0.836 . . . . 1.07 112.183 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.573 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 25.8 p -70.06 -9.51 55.62 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.924 -0.485 . . . . 0.7 112.006 -175.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.7 mp -79.21 -7.98 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.932 0.345 . . . . 1.14 111.932 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.36 -25.56 51.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.821 0.343 . . . . 1.41 111.183 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 57.56 25.72 11.92 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.284 -0.871 . . . . 3.64 112.543 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD12 ' SG ' ' A' ' 47' ' ' CYS . 72.1 mt -81.93 137.22 46.88 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 116.04 -0.527 . . . . 4.23 109.589 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.77 106.77 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.438 2.759 . . . . 4.36 112.58 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -118.15 49.45 1.26 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.775 -0.648 . . . . 7.22 110.032 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -65.95 -42.16 90.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.092 -0.958 . . . . 6.75 112.033 -173.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -96.41 1.08 10.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.681 0.277 . . . . 7.39 111.302 -178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.13 18.21 11.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.759 -0.655 . . . . 7.54 112.14 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.4 m -131.23 156.89 44.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.87 -0.418 . . . . 6.99 109.87 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.9 -73.1 1.51 Allowed Glycine 0 C--N 1.329 0.175 0 C-N-CA 120.861 -0.685 . . . . 4.95 111.874 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -84.85 90.53 7.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.319 -0.622 . . . . 4.43 109.319 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -82.74 38.16 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.319 0.581 . . . . 4.83 110.904 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.551 ' SG ' HD12 ' A' ' 37' ' ' LEU . 52.3 m -89.58 45.03 1.24 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.718 0.77 . . . . 2.93 109.189 177.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -88.54 135.25 33.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.849 -1.069 . . . . 2.76 110.337 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.573 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 42.4 t -54.48 122.78 11.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.524 -0.762 . . . . 0.57 110.071 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 21.2 mt-10 -64.92 -20.09 66.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.371 -0.831 . . . . 1.91 111.628 -174.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 23.4 mmt180 -102.8 35.69 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.36 0.6 . . . . 3.1 110.681 173.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -112.4 -29.18 7.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.553 -0.749 . . . . 1.79 109.732 168.183 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -81.05 122.27 27.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.217 -0.901 . . . . 2.9 109.46 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.0 t -53.14 132.32 38.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.085 -0.961 . . . . 0.69 112.092 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.9 mm? -78.05 -4.04 45.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.88 -0.6 . . . . 1.28 110.418 176.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -141.13 58.43 1.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.47 -0.787 . . . . 3.38 109.862 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.01 113.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.707 -0.479 . . . . 2.03 109.707 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 p -89.03 32.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.821 0.82 . . . . 3.59 111.025 -169.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 10.1 pt-20 -72.86 173.52 9.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.627 -0.715 . . . . 6.43 109.392 174.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -155.58 133.69 11.48 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.605 -0.438 . . . . 8.03 111.001 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.647 -0.692 . . . . 7.87 109.583 175.068 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 112.089 -0.404 . . . . 17.98 112.089 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -81.8 60.2 7.47 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.669 2.246 . . . . 17.34 112.513 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -141.98 -173.84 3.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.512 -0.313 . . . . 17.47 110.158 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.99 -6.92 21.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 15.28 112.463 176.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -154.36 61.3 0.69 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.448 0.642 . . . . 13.77 109.534 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.29 147.03 49.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.507 -0.769 . . . . 12.98 110.89 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 54.47 71.46 0.52 Allowed 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.469 0.481 . . . . 10.97 111.237 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 67.02 -176.53 0.2 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.663 -0.698 . . . . 11.6 111.477 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.3 tpt 56.09 59.15 3.87 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.8 0.81 . . . . 10.21 110.23 -176.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -79.91 92.4 5.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.238 -0.892 . . . . 6.41 109.737 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm 67.6 -75.44 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.822 0.849 . . . . 9.52 110.204 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -144.74 44.29 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.607 -0.886 . . . . 8.89 108.607 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 t 60.83 37.46 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 122.254 1.026 . . . . 4.24 109.113 -173.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.29 122.36 0.69 Allowed Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.935 -1.03 . . . . 2.15 111.786 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 59' ' ' GLU . 3.3 m -66.61 -17.41 64.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.749 0.309 . . . . 1.81 111.522 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 79.89 -5.56 61.7 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.151 -0.547 . . . . 1.36 112.46 -176.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -103.6 -46.38 4.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.741 0.305 . . . . 2.66 111.105 -177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.64 152.43 40.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.44 -0.345 . . . . 1.26 110.291 -175.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.63 -63.88 0.86 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.644 0.59 . . . . 0.74 111.789 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -25.93 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.103 0.478 . . . . 0.37 112.053 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.52 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 73.8 m -81.44 -9.87 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.275 -0.421 . . . . 0.64 111.909 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -87.99 -28.84 21.17 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.604 -0.888 . . . . 2.02 108.604 170.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 19' ' ' ALA . 26.1 t -77.1 143.91 12.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.165 -1.38 . . . . 0.85 110.153 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.7 m -127.66 -23.88 3.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.021 0.439 . . . . 1.46 110.887 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -120.01 -177.94 3.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.924 0.393 . . . . 1.88 110.516 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.474 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.1 p30 -64.59 117.2 7.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.248 0.547 . . . . 1.08 110.182 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.7 p -59.96 -26.24 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.574 -0.739 . . . . 0.99 112.338 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.507 ' O ' HD21 ' A' ' 34' ' ' LEU . . . 82.88 15.45 72.75 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.873 -0.68 . . . . 0.88 112.993 -178.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.09 -3.34 8.55 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.823 0.675 . . . . 1.05 112.823 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.516 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 10.8 m -96.69 134.82 39.46 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.379 -0.971 . . . . 0.78 108.379 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -50.82 -27.3 7.04 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.544 0.527 . . . . 1.64 110.46 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -78.39 -53.75 6.93 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.382 -0.827 . . . . 1.07 111.749 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.545 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.5 p -70.42 -13.88 62.32 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.912 -0.493 . . . . 0.7 111.463 -176.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 28' ' ' GLY . 88.5 mt -76.75 -11.06 59.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.897 0.379 . . . . 1.14 111.259 175.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.7 mt -79.29 -28.08 42.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.592 -0.276 . . . . 1.41 110.56 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 54.45 55.23 8.29 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.3 0.375 . . . . 3.64 110.992 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -82.41 132.7 51.87 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.296 -0.411 . . . . 4.23 110.9 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.19 49.46 3.01 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.827 2.352 . . . . 4.36 112.043 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -127.66 26.75 5.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.194 -0.457 . . . . 7.22 110.332 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -80.96 72.68 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.066 -0.515 . . . . 6.75 110.379 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 p -101.81 -55.92 5.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.299 -0.41 . . . . 7.39 111.351 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 178.01 -71.18 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.816 0.341 . . . . 7.54 110.957 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.2 t -129.11 -170.77 2.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.975 -0.557 . . . . 6.99 110.14 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.62 -104.95 2.13 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.972 -0.633 . . . . 4.95 111.54 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -88.26 102.09 14.49 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.468 -0.938 . . . . 4.43 108.468 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -82.77 -79.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.788 -0.642 . . . . 4.83 111.082 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.7 m 54.29 45.09 27.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.462 0.649 . . . . 2.93 110.289 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -89.89 157.86 17.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.147 -0.933 . . . . 2.76 110.334 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 34.8 t -55.79 123.75 15.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.918 -0.583 . . . . 0.57 110.055 171.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 5.5 mm-40 -64.15 -15.18 59.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.007 -0.542 . . . . 1.91 111.187 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -94.86 37.33 1.15 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.26 0.553 . . . . 3.1 110.53 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.445 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -122.7 -9.44 8.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.537 -0.756 . . . . 1.79 110.682 173.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 16.9 ptm180 -87.11 120.31 28.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.6 -0.727 . . . . 2.9 110.531 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.478 ' SG ' HG12 ' A' ' 57' ' ' ILE . 42.9 t -53.08 125.39 17.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.823 -0.626 . . . . 0.69 111.723 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.7 mm? -80.37 -25.25 39.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 1.28 111.113 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -144.64 79.58 1.61 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.93 -0.767 . . . . 3.38 108.93 -172.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.478 HG12 ' SG ' ' A' ' 54' ' ' CYS . 15.4 mt -70.5 72.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.603 0.716 . . . . 2.03 111.033 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 p -101.39 2.66 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.071 -0.968 . . . . 3.59 109.737 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.537 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 12.1 tp10 -76.29 69.28 2.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.223 -0.899 . . . . 6.43 110.354 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -166.92 26.77 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.01 -0.995 . . . . 8.03 108.719 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.138 -0.937 . . . . 7.87 109.553 -176.254 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.01 -0.436 . . . . 17.98 112.01 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.48 -33.97 66.85 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.985 2.457 . . . . 17.34 112.611 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.34 21.61 7.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.043 0.449 . . . . 17.47 110.526 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.94 -151.25 19.47 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.868 -0.682 . . . . 15.28 112.643 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 p -151.13 55.33 0.88 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.485 0.659 . . . . 13.77 109.677 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -77.48 87.3 3.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.312 -0.858 . . . . 12.98 111.533 -174.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -94.63 61.93 2.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.073 -0.714 . . . . 10.97 109.073 175.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -81.95 113.02 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.752 -0.658 . . . . 11.6 110.927 -174.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.6 mtp 59.06 53.47 5.51 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.745 0.653 . . . . 10.21 110.459 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' A' ' 13' ' ' VAL . 85.5 m-85 64.16 -87.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.474 -0.785 . . . . 6.41 110.414 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 tttp 66.51 -68.02 0.14 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.742 0.645 . . . . 9.52 112.742 173.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -85.99 -22.18 27.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.867 0.365 . . . . 8.89 110.773 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 12.8 p -140.47 157.8 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.719 -0.673 . . . . 4.24 109.52 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.93 -141.38 3.55 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.413 -0.898 . . . . 2.15 112.563 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 21.3 p -60.6 -22.19 63.47 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.718 0.636 . . . . 1.81 112.718 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.81 3.2 72.93 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.836 -0.697 . . . . 1.36 113.129 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.5 -35.03 4.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.325 0.491 . . . . 2.66 112.325 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 p -77.94 157.68 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.555 -0.458 . . . . 1.26 110.871 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.87 -53.32 7.68 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.751 0.657 . . . . 0.74 112.088 -177.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -53.35 -32.42 49.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.595 0.591 . . . . 0.37 112.595 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.0 m -75.18 -23.65 57.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.765 0.317 . . . . 0.64 111.557 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -85.85 -26.28 25.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.411 0.624 . . . . 2.02 109.564 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 19' ' ' ALA . 38.9 t -78.26 149.46 5.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.001 -0.999 . . . . 0.85 109.457 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -130.25 -30.12 1.97 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.742 -0.383 . . . . 1.46 111.53 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -117.89 -168.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.006 -0.368 . . . . 1.88 110.006 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.41 109.03 0.9 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.197 -0.668 . . . . 1.08 109.197 172.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.9 p -58.21 -28.45 64.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.561 -0.745 . . . . 0.99 112.422 -175.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 83.35 22.18 57.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.88 112.905 -177.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.2 -6.25 4.86 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.377 0.88 . . . . 1.05 113.377 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.59 ' O ' HD13 ' A' ' 34' ' ' LEU . 8.3 m -98.86 134.55 41.57 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.853 -0.795 . . . . 0.78 108.853 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 p -49.36 -29.27 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.469 0.481 . . . . 1.64 111.174 176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 47' ' ' CYS . 13.7 m -78.94 -50.62 10.87 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.967 -0.56 . . . . 1.07 111.999 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.5 p -70.44 -14.14 62.42 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.658 -0.651 . . . . 0.7 111.028 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.3 mp -78.07 -11.2 59.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.228 -0.442 . . . . 1.14 111.387 174.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.488 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 81.9 mt -76.71 -48.17 19.68 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.4 -0.222 . . . . 1.41 110.4 -178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 57.06 46.11 19.77 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.005 0.431 . . . . 3.64 110.974 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' A' ' 35' ' ' LEU . 71.9 mt -83.42 121.15 76.55 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.022 -0.535 . . . . 4.23 110.599 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.6 112.37 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.591 2.194 . . . . 4.36 111.047 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -151.48 176.67 11.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.999 0.428 . . . . 7.22 110.927 -176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -129.97 138.28 50.76 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.614 -0.884 . . . . 6.75 108.614 172.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -74.48 178.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.432 -0.349 . . . . 7.39 111.482 -174.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 73.4 -53.05 0.7 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.759 0.824 . . . . 7.54 111.587 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.8 p -67.72 -38.94 84.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 6.99 110.703 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.13 157.78 11.51 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.91 -0.662 . . . . 4.95 111.746 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mp 65.58 108.8 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.351 0.596 . . . . 4.43 111.809 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -81.18 -61.3 1.99 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.678 -0.86 . . . . 4.83 108.678 173.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.429 ' HA ' ' CG2' ' A' ' 32' ' ' THR . 60.2 m 53.05 56.77 7.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.402 -0.817 . . . . 2.93 111.938 173.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -103.81 140.19 37.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.325 -0.398 . . . . 2.76 111.256 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 30.6 t -55.33 114.32 1.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.899 -0.778 . . . . 0.57 108.899 167.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.05 -24.07 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 1.91 111.354 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 21.8 mmt180 -90.22 28.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.321 0.581 . . . . 3.1 110.472 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.493 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -116.95 -10.64 10.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.833 0.825 . . . . 1.79 109.371 168.295 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -92.1 109.94 21.31 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.426 -1.261 . . . . 2.9 109.53 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.6 t -50.59 120.24 4.52 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.367 0.417 . . . . 0.69 111.291 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.93 -3.21 43.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 1.28 110.858 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 95.6 mtt180 -138.67 64.07 1.5 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.766 -0.457 . . . . 3.38 109.766 -176.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.1 95.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.907 -0.588 . . . . 2.03 110.283 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.47 67.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.641 0.734 . . . . 3.59 110.237 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -87.93 -51.27 5.92 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.778 -0.823 . . . . 6.43 108.778 176.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -139.64 14.64 2.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.932 -0.576 . . . . 8.03 109.658 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.252 1.22 0 CA-C-N 114.777 -1.102 . . . . 7.87 110.608 -177.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 111.944 -0.463 . . . . 17.98 111.944 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.33 -24.57 26.94 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.484 2.122 . . . . 17.34 112.264 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 3' ' ' LEU . 1.9 tm? -78.33 106.67 10.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.013 -0.736 . . . . 17.47 109.013 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.24 -37.84 3.03 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.981 -0.848 . . . . 15.28 110.981 -174.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 p -87.95 -25.86 22.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.562 0.696 . . . . 13.77 109.626 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 60.4 30.9 20.17 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 114.239 -1.346 . . . . 12.98 111.081 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -143.99 120.37 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.37 -0.832 . . . . 10.97 110.433 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -113.04 128.07 56.39 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.969 -0.752 . . . . 11.6 108.969 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 61.9 mtt -74.62 -27.93 60.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.02 0.438 . . . . 10.21 110.193 -174.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' CD1' ' HA3' ' A' ' 16' ' ' GLY . 79.9 m-85 -86.79 114.15 23.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.78 -0.646 . . . . 6.41 109.83 172.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -148.17 0.46 0.61 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.332 -0.395 . . . . 9.52 110.943 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.3 mtm-85 -90.06 -17.84 27.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.381 -0.97 . . . . 8.89 108.381 169.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -137.81 -172.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.918 -1.037 . . . . 4.24 109.0 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.76 -111.29 0.21 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.499 -0.858 . . . . 2.15 112.993 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.5 p -64.77 -26.57 68.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 1.81 111.359 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' HA3' ' CD1' ' A' ' 10' ' ' PHE . . . 78.85 -6.7 54.24 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.892 -0.671 . . . . 1.36 113.159 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -108.17 -34.23 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.175 0.435 . . . . 2.66 112.175 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 p -77.66 157.83 30.0 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.528 -0.469 . . . . 1.26 110.532 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.56 -57.94 3.31 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.123 0.889 . . . . 0.74 112.554 -176.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.11 -32.35 54.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.966 0.728 . . . . 0.37 112.966 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 m -72.69 -23.15 60.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.64 111.237 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -86.67 -25.9 24.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.2 0.524 . . . . 2.02 110.018 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 19' ' ' ALA . 21.8 t -75.23 122.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.49 -0.777 . . . . 0.85 109.542 176.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -98.79 -26.42 14.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.861 0.362 . . . . 1.46 111.629 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -126.05 -172.08 2.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.066 0.46 . . . . 1.88 110.409 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -63.84 116.38 5.73 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.91 -0.774 . . . . 1.08 108.91 170.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 p -58.89 -26.47 64.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.028 0.751 . . . . 0.99 113.028 -171.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.425 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 80.39 19.25 69.39 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.804 -0.712 . . . . 0.88 112.832 -178.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.63 3.14 5.0 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.206 0.817 . . . . 1.05 113.206 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.63 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 20.4 m -100.28 134.32 43.38 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.558 -0.904 . . . . 0.78 108.558 176.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 t -52.94 -22.58 5.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.143 0.497 . . . . 1.64 109.815 172.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.3 m -79.48 -55.91 4.7 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.489 -0.778 . . . . 1.07 111.983 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.63 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 28.3 p -70.02 -13.03 62.04 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.901 -0.5 . . . . 0.7 111.848 -175.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 30' ' ' CYS . 9.1 mp -80.23 -3.79 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.626 -0.261 . . . . 1.14 111.399 175.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 96.9 mt -74.98 -53.36 9.08 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.194 -0.299 . . . . 1.41 110.194 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 55.43 41.62 30.8 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.057 0.456 . . . . 3.64 111.097 176.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HG ' ' HB3' ' A' ' 35' ' ' LEU . 85.7 mt -84.02 129.23 59.58 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.002 -0.544 . . . . 4.23 111.258 -177.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.55 140.55 16.97 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.483 2.122 . . . . 4.36 111.408 173.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -149.03 139.7 22.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.065 0.459 . . . . 7.22 111.64 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -116.41 145.42 43.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.833 -0.621 . . . . 6.75 109.464 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.4 t 54.14 54.0 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 121.602 0.715 . . . . 7.39 109.974 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -168.8 60.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.307 -0.86 . . . . 7.54 110.12 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -87.13 124.2 33.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.113 -0.494 . . . . 6.99 110.006 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.61 30.38 3.55 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.905 -0.664 . . . . 4.95 112.261 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 23.9 mt -81.71 153.91 26.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.724 0.297 . . . . 4.43 110.437 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -84.66 35.89 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.939 0.4 . . . . 4.83 111.208 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.7 m -99.29 25.76 6.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.518 0.675 . . . . 2.93 109.939 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -91.32 138.14 31.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.239 -0.891 . . . . 2.76 111.03 -176.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.512 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 44.3 t -52.52 121.24 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.57 109.965 172.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.95 0.04 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.977 -0.556 . . . . 1.91 111.749 -176.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -102.75 34.1 2.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.919 0.39 . . . . 3.1 110.117 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -120.57 -19.97 7.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.557 0.694 . . . . 1.79 110.565 175.309 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -81.03 117.7 21.86 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.886 -1.052 . . . . 2.9 110.167 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.5 t -52.22 121.13 6.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.68 -0.691 . . . . 0.69 110.95 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -78.71 -2.98 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.209 0.528 . . . . 1.28 110.539 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -139.08 64.15 1.48 Allowed 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.517 -0.92 . . . . 3.38 108.517 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.1 mt -63.01 87.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.492 0.663 . . . . 2.03 112.247 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -120.77 16.61 6.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.363 -0.835 . . . . 3.59 109.038 171.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -80.87 -21.02 41.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.831 -1.077 . . . . 6.43 111.083 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -109.34 171.12 7.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.062 -0.517 . . . . 8.03 110.336 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.9 m . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.41 -0.805 . . . . 7.87 110.268 179.863 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.903 -0.479 . . . . 17.98 111.903 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.45 117.42 5.14 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.717 2.278 . . . . 17.34 112.332 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.88 173.98 9.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.613 -0.514 . . . . 17.47 109.613 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.92 -53.85 4.89 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.435 -0.888 . . . . 15.28 111.538 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 p -96.24 44.51 1.07 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.499 0.666 . . . . 13.77 109.671 173.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -103.05 7.6 38.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.337 -0.847 . . . . 12.98 111.393 -173.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.69 176.42 5.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.304 -0.407 . . . . 10.97 110.056 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.523 ' H ' ' HD2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -127.06 136.64 52.46 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.118 -0.697 . . . . 11.6 109.118 176.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -78.42 46.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.136 0.421 . . . . 10.21 112.136 -174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 57.92 20.76 6.98 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.703 0.631 . . . . 6.41 112.703 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -87.56 -1.93 58.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.014 0.435 . . . . 9.52 110.902 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -97.18 -40.9 8.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 8.89 110.167 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -89.49 -15.61 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.074 -0.512 . . . . 4.24 110.755 -177.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.5 168.47 24.14 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.726 -0.749 . . . . 2.15 112.426 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -61.81 -28.26 69.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.193 0.442 . . . . 1.81 112.193 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.38 -10.68 63.26 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.746 -0.74 . . . . 1.36 112.949 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -105.67 -32.91 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.608 0.595 . . . . 2.66 112.608 -173.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' SG ' HD23 ' A' ' 55' ' ' LEU . 12.2 p -80.08 165.51 22.44 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.61 -0.436 . . . . 1.26 110.998 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.96 -67.51 0.27 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.948 0.78 . . . . 0.74 112.773 -176.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.38 -29.14 33.08 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.653 0.612 . . . . 0.37 112.653 -176.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 m -73.22 -32.46 64.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.686 0.254 . . . . 0.64 111.686 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -86.84 0.88 54.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.171 0.51 . . . . 2.02 111.161 -176.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 19' ' ' ALA . 31.7 t -80.76 160.73 3.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.606 -0.725 . . . . 0.85 109.69 176.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.3 m -124.74 -45.39 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.816 0.341 . . . . 1.46 111.374 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -106.55 170.86 7.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.322 -0.399 . . . . 1.88 110.716 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.57 134.79 50.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.333 -0.618 . . . . 1.08 109.333 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 p -64.81 -24.4 67.54 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.568 0.581 . . . . 0.99 112.568 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.08 18.51 79.37 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 121.141 -0.552 . . . . 0.88 113.604 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.0 19.61 3.78 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.754 1.02 . . . . 1.05 113.754 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.56 ' O ' HD13 ' A' ' 34' ' ' LEU . 22.5 m -111.05 150.86 28.74 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.661 -0.65 . . . . 0.78 109.421 174.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -52.09 -32.29 34.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.461 0.648 . . . . 1.64 110.155 171.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.27 -56.24 4.82 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.289 -0.868 . . . . 1.07 112.342 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.8 p -69.3 -12.55 61.76 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.676 -0.409 . . . . 0.7 111.809 -176.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.3 mp -79.35 -4.56 51.5 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.9 0.333 . . . . 1.14 111.9 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.1 mt -76.51 -33.27 58.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.236 -0.283 . . . . 1.41 110.236 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 54.81 77.32 0.21 Allowed 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.598 0.561 . . . . 3.64 111.822 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.73 129.59 67.58 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.912 -0.586 . . . . 4.23 110.27 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.99 33.51 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.023 2.482 . . . . 4.36 112.552 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -137.59 113.75 10.0 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.473 -0.566 . . . . 7.22 109.473 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -102.73 22.86 12.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.799 -0.637 . . . . 6.75 111.568 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.1 t -77.19 -41.84 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.962 -0.384 . . . . 7.39 109.962 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 53.81 64.07 1.97 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.942 -0.572 . . . . 7.54 111.925 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 p -106.36 -23.4 12.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.434 0.635 . . . . 6.99 109.921 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -148.22 -156.26 7.0 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.208 -0.905 . . . . 4.95 110.848 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 62.28 89.74 0.08 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.252 0.548 . . . . 4.43 111.157 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -84.02 22.22 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.105 0.478 . . . . 4.83 111.198 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.6 p -94.24 35.73 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.043 -0.526 . . . . 2.93 110.877 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -93.63 -178.65 4.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 2.76 110.922 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 42.2 t -47.07 124.86 6.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.812 -0.631 . . . . 0.57 110.814 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.6 -17.8 64.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.91 111.267 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -87.62 27.23 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.472 0.654 . . . . 3.1 110.176 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -115.44 -13.78 11.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.419 -0.81 . . . . 1.79 109.209 172.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -90.82 126.04 35.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.339 -0.846 . . . . 2.9 109.848 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.496 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 45.8 t -50.84 138.3 19.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.135 -0.484 . . . . 0.69 110.056 174.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.43 HD23 ' SG ' ' A' ' 18' ' ' CYS . 3.6 mm? -72.24 -30.26 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 1.28 111.164 -173.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -104.04 -3.93 23.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.951 0.405 . . . . 3.38 111.138 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.496 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 28.4 mt 42.5 51.99 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.147 -0.933 . . . . 2.03 111.357 -173.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.5 p -116.33 135.56 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.716 -0.675 . . . . 3.59 109.959 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -109.04 155.24 21.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.807 0.337 . . . . 6.43 110.404 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -108.22 35.01 3.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.291 0.567 . . . . 8.03 109.804 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.601 -0.727 . . . . 7.87 110.226 -179.38 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.453 -0.659 . . . . 17.98 111.453 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.02 -54.66 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.618 2.212 . . . . 17.34 111.99 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.672 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.6 pt? -79.16 150.88 31.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.097 -0.501 . . . . 17.47 109.987 177.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.52 48.62 2.95 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.735 -0.745 . . . . 15.28 111.951 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -70.61 91.3 0.79 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.044 0.449 . . . . 13.77 110.375 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -84.46 77.32 10.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.14 -0.482 . . . . 12.98 110.162 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -79.09 88.56 4.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.636 -0.711 . . . . 10.97 110.346 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -76.43 -12.86 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.901 -0.59 . . . . 11.6 110.708 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.5 mmm 65.7 -164.81 0.24 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.469 -0.787 . . . . 10.21 111.265 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 63.82 21.88 12.83 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.958 -0.565 . . . . 6.41 111.385 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -87.62 -6.48 58.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.112 0.482 . . . . 9.52 110.902 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -93.05 -39.84 10.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.146 0.498 . . . . 8.89 110.715 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.41 16.45 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.796 -0.638 . . . . 4.24 110.64 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.23 -177.06 45.82 Favored Glycine 0 N--CA 1.441 -0.97 0 N-CA-C 110.731 -0.948 . . . . 2.15 110.731 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -63.02 -26.93 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.133 0.466 . . . . 1.81 111.386 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.37 2.41 73.8 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 121.101 -0.571 . . . . 1.36 113.041 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -114.16 -36.19 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.103 0.408 . . . . 2.66 112.103 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -77.94 159.57 28.76 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.225 -0.297 . . . . 1.26 111.048 -175.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -47.04 -55.19 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.895 0.747 . . . . 0.74 111.727 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -51.35 -35.55 38.96 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.774 0.657 . . . . 0.37 112.774 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.6 m -71.75 -29.95 65.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.64 111.169 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -89.25 -21.17 23.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.457 -0.338 . . . . 2.02 111.284 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 19' ' ' ALA . 65.1 t -73.39 129.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.85 110.118 178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.2 p -112.95 -25.1 9.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 1.46 111.462 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.44 -177.9 3.27 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.771 -0.455 . . . . 1.88 109.771 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -68.36 110.24 4.01 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.853 -0.795 . . . . 1.08 108.853 169.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -27.65 67.48 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.201 0.815 . . . . 0.99 113.201 -167.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 17.93 73.94 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.782 -0.723 . . . . 0.88 113.667 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.77 31.41 2.51 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.346 0.869 . . . . 1.05 113.346 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.604 ' O ' HD13 ' A' ' 34' ' ' LEU . 8.2 m -131.72 157.13 44.58 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 121.743 -0.598 . . . . 0.78 110.379 172.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.6 t -48.23 -48.07 35.39 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 123.424 0.452 . . . . 1.64 111.481 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.438 ' HB ' ' OE1' ' A' ' 50' ' ' GLU . 23.4 m -79.48 -43.85 22.4 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.534 0.568 . . . . 1.07 112.534 -173.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.581 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 24.4 p -69.27 -12.57 61.78 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.581 -0.7 . . . . 0.7 111.539 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.3 mp -77.38 -13.78 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.99 0.424 . . . . 1.14 110.819 172.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.8 mt -86.03 15.67 4.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 1.41 110.797 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -82.45 78.5 9.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.388 0.614 . . . . 3.64 110.131 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 82.8 mt -80.3 128.07 74.2 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.31 -0.859 . . . . 4.23 109.673 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 50.9 Cg_exo -54.89 -29.52 64.02 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.543 2.829 . . . . 4.36 113.098 -177.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -86.3 135.52 33.5 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.27 -0.641 . . . . 7.22 109.27 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.44 80.5 3.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.493 0.663 . . . . 6.75 110.644 -176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.15 -19.1 6.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.417 -0.81 . . . . 7.39 110.32 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.35 78.97 6.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.844 -0.616 . . . . 7.54 110.737 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 p -81.63 139.81 34.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.088 -0.506 . . . . 6.99 110.423 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.83 -82.32 1.68 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.62 -0.8 . . . . 4.95 111.406 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.436 HD13 ' H ' ' A' ' 47' ' ' CYS . 0.8 OUTLIER -85.85 85.44 7.39 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.48 -0.933 . . . . 4.43 108.48 174.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -81.9 1.05 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.585 -0.734 . . . . 4.83 111.977 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.436 ' H ' HD13 ' A' ' 45' ' ' LEU . 60.2 m 72.3 136.95 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 O-C-N 124.147 0.905 . . . . 2.93 112.428 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -140.51 132.19 27.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.643 -0.708 . . . . 2.76 110.462 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.581 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 15.3 t -53.36 121.73 8.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.314 -0.857 . . . . 0.57 112.007 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' OE1' ' HB ' ' A' ' 32' ' ' THR . 3.4 mp0 -65.28 -17.98 64.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.862 -1.063 . . . . 1.91 111.743 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HG3' ' SG ' ' A' ' 30' ' ' CYS . 99.4 mtt180 -96.07 39.95 1.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.256 0.55 . . . . 3.1 110.314 176.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -114.61 -34.36 5.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.375 -0.83 . . . . 1.79 109.854 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -76.29 125.51 29.31 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.163 -0.926 . . . . 2.9 109.757 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -51.12 123.76 10.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.603 -0.726 . . . . 0.69 111.178 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.88 -10.51 59.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 1.28 110.597 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 56' ' ' ARG . 48.5 mtt180 -133.4 55.63 1.89 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.174 -0.466 . . . . 3.38 110.087 -177.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.28 109.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 2.03 110.862 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.5 ' HA ' ' OG ' ' A' ' 61' ' ' SER . 11.4 t 53.05 58.46 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 121.619 0.723 . . . . 3.59 110.919 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -90.78 -47.5 7.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.99 -0.55 . . . . 6.43 110.442 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -130.09 28.85 4.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.395 0.617 . . . . 8.03 110.39 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.5 ' OG ' ' HA ' ' A' ' 58' ' ' VAL . 8.7 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.437 -0.792 . . . . 7.87 110.51 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 112.077 -0.409 . . . . 17.98 112.077 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -71.08 -26.96 20.89 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.436 2.091 . . . . 17.34 112.114 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.5 tp 54.81 68.9 0.79 Allowed 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.367 0.603 . . . . 17.47 110.153 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.53 128.23 7.37 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.572 -0.74 . . . . 15.28 112.215 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 p -72.4 137.29 46.42 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.957 -0.386 . . . . 13.77 109.957 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.82 -31.22 72.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.861 -0.609 . . . . 12.98 110.426 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -88.84 126.25 35.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.34 -0.985 . . . . 10.97 108.34 172.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -100.2 128.75 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.886 0.374 . . . . 11.6 110.73 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 84.1 mtp -78.7 118.85 21.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.629 . . . . 10.21 111.205 -175.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -148.33 -89.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.357 0.41 . . . . 6.41 110.729 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 62.2 mttp 54.21 74.6 0.33 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.603 0.361 . . . . 9.52 111.144 -175.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 22.8 mmt180 71.78 -11.65 0.73 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.363 0.665 . . . . 8.89 112.002 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.4 t -89.88 142.39 12.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.739 -0.467 . . . . 4.24 109.739 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.82 -110.42 1.73 Allowed Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.668 -0.777 . . . . 2.15 111.618 176.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -62.5 -27.06 68.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.204 0.446 . . . . 1.81 112.204 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.26 -2.29 77.27 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.96 -0.638 . . . . 1.36 113.523 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -116.26 -31.05 5.76 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.757 0.651 . . . . 2.66 112.757 -175.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -74.85 157.22 35.47 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 120.674 -0.41 . . . . 1.26 110.806 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.22 -56.73 3.9 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 124.025 0.828 . . . . 0.74 111.463 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -53.18 -30.73 39.05 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.974 0.731 . . . . 0.37 112.974 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 m -71.75 -31.97 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.64 111.011 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -90.54 -21.49 21.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.887 -0.597 . . . . 2.02 111.234 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 19' ' ' ALA . 46.7 t -74.47 133.73 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.97 -0.381 . . . . 0.85 109.97 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -105.47 -37.14 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.787 0.327 . . . . 1.46 111.747 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.77 -172.8 2.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.416 -0.356 . . . . 1.88 110.463 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.7 p-10 -65.45 125.64 25.77 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.348 -0.612 . . . . 1.08 109.348 174.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.2 p -63.89 -26.81 68.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.663 -0.699 . . . . 0.99 111.855 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.23 10.85 83.14 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.034 -0.603 . . . . 0.88 113.155 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.15 28.26 4.12 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.356 0.873 . . . . 1.05 113.356 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.606 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 32.8 m -114.89 141.93 47.27 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.194 -1.039 . . . . 0.78 108.194 170.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.529 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 13.7 t -51.97 -30.53 25.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.514 -0.551 . . . . 1.64 109.514 171.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -77.82 -50.87 11.45 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.629 -0.714 . . . . 1.07 112.224 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.606 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 24.8 p -73.03 -5.46 38.99 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.708 -0.62 . . . . 0.7 111.597 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.9 mp -83.04 -23.28 33.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.156 0.503 . . . . 1.14 109.837 170.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 31' ' ' SER . 82.0 mt -81.34 -56.56 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.594 -0.73 . . . . 1.41 109.987 175.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.482 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 12.3 mm-40 55.5 74.58 0.36 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.588 -0.733 . . . . 3.64 110.884 -177.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.0 mt -80.02 120.62 80.33 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.395 -0.594 . . . . 4.23 109.395 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -72.89 48.72 1.44 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.206 2.604 . . . . 4.36 112.588 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -143.07 24.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.485 -0.561 . . . . 7.22 109.485 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -80.84 53.31 1.91 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.596 -0.729 . . . . 6.75 111.103 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.25 155.17 7.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 7.39 110.465 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.15 63.07 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.192 0.52 . . . . 7.54 110.804 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -138.41 31.06 2.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.707 -0.679 . . . . 6.99 109.673 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.85 20.2 44.4 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.673 -0.775 . . . . 4.95 112.451 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.13 88.74 4.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.942 0.401 . . . . 4.43 109.945 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.87 38.06 0.74 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.187 -0.46 . . . . 4.83 111.353 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.5 p -88.78 61.3 5.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.452 0.644 . . . . 2.93 109.629 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -148.2 176.27 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.254 -0.885 . . . . 2.76 108.902 -174.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.604 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 53.1 t -51.07 121.64 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.614 0.721 . . . . 0.57 111.306 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.484 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 25.4 mt-10 -66.93 -16.26 64.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.869 -1.06 . . . . 1.91 111.336 -177.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 25.4 mmm180 -90.6 28.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.417 0.627 . . . . 3.1 109.929 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -115.64 -5.8 12.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.981 0.896 . . . . 1.79 109.102 171.098 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -100.43 111.46 23.73 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.264 -1.335 . . . . 2.9 109.952 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.8 t -51.45 125.67 15.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 0.69 111.174 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.2 -9.85 58.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.28 110.982 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -137.88 67.06 1.43 Allowed 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.052 -0.722 . . . . 3.38 109.052 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.93 94.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.143 0.497 . . . . 2.03 110.173 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.7 m -123.62 41.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.445 -0.798 . . . . 3.59 111.044 -175.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 60' ' ' ARG . 7.4 pt-20 -61.13 -43.82 98.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 6.43 110.364 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 67.7 mtm180 -123.64 41.06 3.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.406 -0.361 . . . . 8.03 110.161 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.438 -0.791 . . . . 7.87 110.546 179.516 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.218 -0.353 . . . . 17.98 112.218 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -71.5 148.42 54.0 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.226 2.617 . . . . 17.34 112.041 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -63.39 144.17 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 17.47 110.092 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.27 -44.42 3.29 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.746 -0.74 . . . . 15.28 111.848 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 m -82.53 63.17 6.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.902 0.382 . . . . 13.77 110.34 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -85.65 139.17 31.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 12.98 110.817 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -109.13 100.71 9.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 10.97 109.759 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -75.49 -30.92 60.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.182 -0.463 . . . . 11.6 110.281 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -79.1 173.75 12.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.821 -0.627 . . . . 10.21 109.997 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -78.4 -57.54 3.72 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.746 -0.381 . . . . 6.41 109.976 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -155.25 -41.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.499 . . . . 9.52 110.329 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -147.53 49.74 1.08 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.47 . . . . 8.89 109.915 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t 68.89 141.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.263 -0.88 . . . . 4.24 110.92 -174.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.23 157.03 27.27 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.424 -0.893 . . . . 2.15 112.644 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 19.1 p -61.94 -30.93 71.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.178 0.436 . . . . 1.81 112.178 -179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.14 -4.22 85.9 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.717 -0.754 . . . . 1.36 113.022 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -110.91 -35.64 5.89 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.474 0.546 . . . . 2.66 112.474 -175.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 p -75.46 158.01 33.25 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.791 -0.364 . . . . 1.26 110.836 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.31 -55.61 5.77 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.827 0.705 . . . . 0.74 112.177 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.82 22.98 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.033 0.753 . . . . 0.37 113.033 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 m -77.44 -21.69 52.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.64 111.672 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -89.71 -28.04 19.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.312 0.577 . . . . 2.02 109.977 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 19' ' ' ALA . 35.2 t -76.48 122.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.438 -0.801 . . . . 0.85 109.793 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.9 p -104.07 -14.01 16.07 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.157 0.428 . . . . 1.46 112.157 -175.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -131.44 -172.9 2.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.925 -0.398 . . . . 1.88 109.925 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.5 p-10 -63.47 116.66 5.78 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.931 -0.766 . . . . 1.08 108.931 171.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -61.31 -23.22 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.741 -0.663 . . . . 0.99 112.495 -172.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.427 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 77.38 14.19 82.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.829 -0.701 . . . . 0.88 113.077 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -130.21 22.37 5.24 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.084 0.772 . . . . 1.05 113.084 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' HD13 ' A' ' 34' ' ' LEU . 13.9 m -118.6 136.51 53.84 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.54 -0.911 . . . . 0.78 108.54 170.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 m -52.38 -21.48 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.075 0.464 . . . . 1.64 110.518 172.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -59.02 2.95 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.696 -0.684 . . . . 1.07 111.769 176.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.532 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 31.1 p -69.34 -13.06 62.17 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.15 -0.344 . . . . 0.7 111.721 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.6 mp -76.53 -12.3 60.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.007 0.432 . . . . 1.14 111.015 174.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.9 mt -76.52 -22.56 54.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.116 -0.698 . . . . 1.41 109.116 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 53.56 70.34 0.61 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.959 -0.564 . . . . 3.64 110.993 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 78.1 mt -81.91 121.4 79.16 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.441 -0.799 . . . . 4.23 109.863 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 31.7 Cg_exo -59.15 -49.73 10.34 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.146 2.564 . . . . 4.36 112.619 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -167.65 39.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.08 0.467 . . . . 7.22 110.654 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.76 124.59 27.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.853 -0.612 . . . . 6.75 111.772 -175.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -175.99 110.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.583 -0.735 . . . . 7.39 109.51 175.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -152.45 109.5 3.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.75 -0.659 . . . . 7.54 110.181 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.6 m 60.41 32.59 20.64 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.465 0.65 . . . . 6.99 110.005 -176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.65 -119.0 4.43 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.383 -0.826 . . . . 4.95 111.305 -175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 42' ' ' ALA . 4.5 mm? 57.4 57.62 4.3 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.627 0.727 . . . . 4.43 110.724 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -84.26 46.81 1.25 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.096 -0.956 . . . . 4.83 110.223 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.8 m -87.08 41.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.628 -0.715 . . . . 2.93 110.61 -175.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -94.4 -176.82 4.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.726 -0.67 . . . . 2.76 110.443 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 41.9 t -52.19 105.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.012 0.434 . . . . 0.57 109.847 172.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.86 -27.81 68.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.573 . . . . 1.91 111.002 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -88.08 33.57 0.73 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 3.1 110.663 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' HG2' ' SG ' ' A' ' 49' ' ' CYS . 20.1 mmm-85 -114.66 -10.63 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.683 0.754 . . . . 1.79 109.114 167.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -81.89 115.35 21.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.521 -1.218 . . . . 2.9 109.037 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.489 ' HB3' HG12 ' A' ' 57' ' ' ILE . 48.7 t -52.55 116.41 2.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.69 110.141 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.408 ' H ' HD22 ' A' ' 55' ' ' LEU . 2.7 mm? -73.56 -18.12 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 1.28 111.071 -174.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 31.0 mtm-85 -140.45 71.88 1.38 Allowed 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.958 -0.756 . . . . 3.38 108.958 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 54' ' ' CYS . 82.1 mt -65.69 92.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.005 -0.543 . . . . 2.03 110.731 178.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -113.47 170.9 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.568 -0.742 . . . . 3.59 109.849 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 53.89 60.56 3.56 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.272 0.558 . . . . 6.43 110.29 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -85.42 52.76 2.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.652 -0.704 . . . . 8.03 111.061 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.534 -0.746 . . . . 7.87 109.778 179.284 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.966 -0.454 . . . . 17.98 111.966 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.97 106.61 1.55 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.892 2.395 . . . . 17.34 112.269 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.3 mt -123.58 132.87 54.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.098 -0.501 . . . . 17.47 109.655 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.37 -13.62 28.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.822 -0.704 . . . . 15.28 112.352 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 m -142.6 70.69 1.33 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.192 0.52 . . . . 13.77 110.424 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' HG3' ' HG3' ' A' ' 7' ' ' GLN . 6.1 pt-20 -107.24 -31.57 8.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.96 -0.564 . . . . 12.98 111.271 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.403 ' HG3' ' HG3' ' A' ' 6' ' ' GLU . 71.7 mt-30 -127.34 156.63 41.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.216 -0.29 . . . . 10.97 110.216 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 69.81 128.31 0.03 OUTLIER 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.87 0.731 . . . . 11.6 110.876 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 ptp -159.2 178.06 10.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.945 0.402 . . . . 10.21 111.134 -174.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -143.77 125.25 14.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.512 -0.767 . . . . 6.41 109.364 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -154.07 -37.96 0.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.954 0.407 . . . . 9.52 110.626 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -89.15 -44.85 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.338 -0.616 . . . . 8.89 109.338 173.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 m -100.03 171.22 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.54 -0.754 . . . . 4.24 110.184 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.66 -120.76 0.6 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.675 -0.774 . . . . 2.15 112.42 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 18.2 p -63.9 -29.87 71.01 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.222 0.452 . . . . 1.81 112.222 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.74 -3.94 81.17 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.919 -0.658 . . . . 1.36 112.926 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -110.61 -36.7 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.437 0.532 . . . . 2.66 112.437 -175.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 p -75.17 157.25 34.89 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.897 -0.321 . . . . 1.26 111.07 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.53 -52.54 10.25 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.848 0.717 . . . . 0.74 111.679 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -50.61 -38.44 45.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.796 -0.638 . . . . 0.37 112.087 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 m -72.37 -24.39 61.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.428 -0.351 . . . . 0.64 111.728 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -90.14 -20.8 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.957 0.408 . . . . 2.02 110.708 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 19' ' ' ALA . 98.5 t -72.6 -44.74 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.922 -0.581 . . . . 0.85 110.692 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.8 p 62.16 -17.02 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.091 1.356 . . . . 1.46 114.277 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 23' ' ' VAL . 31.9 mt-10 -132.48 174.02 10.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.435 -0.209 . . . . 1.88 110.435 -175.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.87 105.25 2.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 1.08 109.678 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.1 p -62.8 -23.33 67.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.74 -0.664 . . . . 0.99 112.774 -172.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.52 10.94 71.7 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 121.189 -0.529 . . . . 0.88 113.59 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.18 28.81 4.71 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.797 0.665 . . . . 1.05 112.797 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 56.8 m -104.3 155.79 18.45 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.931 -0.766 . . . . 0.78 108.931 170.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.8 m -49.72 -39.66 37.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.15 0.5 . . . . 1.64 110.205 172.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.5 m -80.96 -52.19 7.71 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.982 0.734 . . . . 1.07 112.982 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 19.0 p -68.33 -7.04 27.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.68 -0.637 . . . . 0.7 111.628 -173.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.09 -13.79 60.51 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.671 0.272 . . . . 1.14 111.22 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.7 -2.78 40.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.636 0.235 . . . . 1.41 111.636 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 58.63 79.38 0.22 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.349 0.595 . . . . 3.64 110.014 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.544 ' CD1' ' HA ' ' A' ' 48' ' ' LYS . 46.2 mt -80.48 126.69 78.01 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.63 -0.713 . . . . 4.23 110.885 -175.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -75.76 154.86 39.28 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.35 2.034 . . . . 4.36 111.133 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -84.41 49.43 1.68 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.402 0.62 . . . . 7.22 110.11 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -100.25 130.64 46.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.155 -0.929 . . . . 6.75 110.017 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.1 m -77.71 178.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 7.39 111.191 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.53 24.21 11.8 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.265 0.555 . . . . 7.54 110.865 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 p -111.68 49.79 0.87 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.681 -0.69 . . . . 6.99 110.299 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.91 49.89 3.24 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 115.799 -0.637 . . . . 4.95 113.092 -176.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.08 0.65 57.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.643 0.259 . . . . 4.43 110.503 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 64.0 20.61 12.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.715 -0.675 . . . . 4.83 110.56 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.4 m -94.57 91.05 6.39 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.253 -0.885 . . . . 2.93 109.732 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 68.2 mttm -142.6 177.15 8.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.011 -0.54 . . . . 2.76 109.805 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 52.0 t -53.36 109.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.172 -0.677 . . . . 0.57 109.172 172.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.92 -29.84 68.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.217 -0.901 . . . . 1.91 111.795 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 40.9 mmt180 -91.92 33.35 1.05 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.266 0.555 . . . . 3.1 110.778 175.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.534 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -118.38 -24.38 6.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.675 0.75 . . . . 1.79 109.573 168.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -83.63 111.16 18.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.574 -1.194 . . . . 2.9 109.364 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.436 ' HB3' HG12 ' A' ' 57' ' ' ILE . 53.7 t -50.25 126.29 14.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.668 -0.696 . . . . 0.69 111.528 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.7 -9.33 58.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 1.28 111.038 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 97.1 mtt180 -139.51 65.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.241 -0.652 . . . . 3.38 109.241 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 54' ' ' CYS . 67.2 mt -63.55 93.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 2.03 110.632 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.0 p -126.48 135.04 64.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.805 -0.634 . . . . 3.59 109.961 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -141.2 52.83 1.56 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.507 0.67 . . . . 6.43 110.105 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -77.97 145.59 35.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.513 -0.767 . . . . 8.03 109.963 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.7 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.804 -1.094 . . . . 7.87 110.209 -175.16 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.765 -0.534 . . . . 17.98 111.765 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.97 -176.67 2.2 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.524 2.149 . . . . 17.34 111.993 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.401 ' HB3' ' HD3' ' A' ' 8' ' ' ARG . 91.1 mt -58.94 -62.38 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.742 0.306 . . . . 17.47 110.9 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.34 52.75 0.57 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.053 -0.594 . . . . 15.28 112.028 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m 68.3 -73.55 0.08 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.098 0.559 . . . . 13.77 111.325 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -120.67 -48.59 2.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.716 -0.476 . . . . 12.98 109.716 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -147.72 146.99 29.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.677 -0.692 . . . . 10.97 110.119 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.59 ' NH1' ' HA ' ' A' ' 22' ' ' GLN . 53.3 mtm180 -82.2 78.33 8.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.017 -0.538 . . . . 11.6 110.711 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 tpt -76.34 -39.51 53.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.411 -0.813 . . . . 10.21 110.045 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 60.87 -83.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.985 0.803 . . . . 6.41 111.759 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 68.67 3.83 4.07 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.44 0.696 . . . . 9.52 110.525 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -157.78 148.59 21.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.861 -0.609 . . . . 8.89 109.488 177.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t 70.87 -64.75 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 123.682 0.614 . . . . 4.24 111.498 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 54' ' ' CYS . . . -120.54 150.09 17.45 Favored Glycine 0 N--CA 1.439 -1.15 0 C-N-CA 120.786 -0.721 . . . . 2.15 112.877 -176.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' HB3' HG23 ' A' ' 58' ' ' VAL . 26.8 p -65.41 -29.87 70.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.889 0.376 . . . . 1.81 111.101 174.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.4 1.78 85.71 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.84 -0.695 . . . . 1.36 112.402 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -120.1 -36.58 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.995 0.739 . . . . 2.66 112.995 -172.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -77.38 168.93 19.2 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.542 -0.463 . . . . 1.26 111.119 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.92 -60.85 1.65 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.311 0.856 . . . . 0.74 113.311 -174.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.6 -30.39 68.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.972 0.36 . . . . 0.37 111.972 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.9 m -77.92 -13.02 60.02 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.986 0.422 . . . . 0.64 111.159 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.59 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 83.2 mm-40 -85.39 -27.96 25.47 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.969 -0.752 . . . . 2.02 108.969 172.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 19' ' ' ALA . 40.3 t -76.99 132.59 32.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.483 -1.235 . . . . 0.85 109.927 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.1 p -123.68 -4.57 8.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.817 0.341 . . . . 1.46 111.271 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -136.62 -170.05 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.099 -0.5 . . . . 1.88 110.548 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -63.62 110.17 1.92 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.675 -0.693 . . . . 1.08 109.775 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.4 p -61.88 -20.06 63.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.565 . . . . 0.99 111.479 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.83 18.04 73.66 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 116.101 -0.5 . . . . 0.88 113.104 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.81 -16.78 8.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.768 0.655 . . . . 1.05 112.768 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.9 138.08 34.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.261 -0.644 . . . . 0.78 109.261 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 p -51.4 -23.96 4.35 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.46 0.475 . . . . 1.64 111.43 174.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.9 -59.66 2.66 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 115.776 -0.647 . . . . 1.07 111.361 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.607 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 20.7 p -70.88 -13.7 62.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.356 -0.384 . . . . 0.7 111.586 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.48 -7.89 54.51 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.752 0.31 . . . . 1.14 111.005 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.3 mt -79.21 3.9 16.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.346 -0.388 . . . . 1.41 110.518 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 62.65 50.67 3.39 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.535 -0.757 . . . . 3.64 110.276 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 19.1 mt 64.23 116.84 0.02 OUTLIER Pre-proline 0 CA--C 1.529 0.15 0 CA-C-N 115.103 -0.953 . . . . 4.23 111.667 -174.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.1 Cg_endo -52.67 121.31 8.93 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.02 2.48 . . . . 4.36 112.101 -177.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -94.87 -68.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.131 -0.486 . . . . 7.22 110.916 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -82.72 -29.29 29.92 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.849 -0.341 . . . . 6.75 110.481 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.75 21.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.193 0.52 . . . . 7.39 110.702 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 38' ' ' PRO . . . -87.03 -13.82 43.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 7.54 110.379 176.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m -80.69 81.57 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 6.99 109.537 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.3 -144.54 17.2 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.672 -0.971 . . . . 4.95 110.672 -173.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 63.06 -174.07 0.15 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.373 0.606 . . . . 4.43 111.764 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -153.82 44.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.858 0.837 . . . . 4.83 109.066 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.4 m -89.4 55.01 3.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.47 -0.786 . . . . 2.93 110.442 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -96.39 156.35 16.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.364 -0.835 . . . . 2.76 111.347 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.607 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 40.3 t -52.89 111.08 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.467 -0.788 . . . . 0.57 110.082 173.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 41.9 mt-10 -62.75 -16.3 57.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 1.91 111.377 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -93.16 32.6 1.29 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.892 0.377 . . . . 3.1 110.763 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 18.8 mmm-85 -115.18 -24.94 8.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.475 0.655 . . . . 1.79 110.338 174.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 12.8 ptm180 -83.49 134.79 34.83 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.943 -1.026 . . . . 2.9 110.501 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.454 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . 7.5 t -51.78 126.25 17.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.471 -0.786 . . . . 0.69 110.344 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.68 -35.11 65.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.438 -0.346 . . . . 1.28 111.476 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -102.06 -3.73 27.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.309 0.576 . . . . 3.38 110.704 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 57' ' ' ILE . 31.4 mt 47.84 39.63 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 114.804 -1.089 . . . . 2.03 111.391 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 15' ' ' CYS . 12.2 m -90.83 65.03 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.671 0.748 . . . . 3.59 110.456 178.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -86.82 27.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.47 -0.787 . . . . 6.43 110.668 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 60.13 39.38 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.616 -0.72 . . . . 8.03 110.631 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.481 -0.771 . . . . 7.87 109.491 177.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.711 -0.555 . . . . 17.98 111.711 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.46 135.08 19.67 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.47 2.113 . . . . 17.34 112.239 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -91.9 130.14 37.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.06 -0.518 . . . . 17.47 109.892 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.72 129.84 11.31 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.707 -0.759 . . . . 15.28 112.232 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 p -110.95 27.02 10.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.252 0.549 . . . . 13.77 110.664 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.51 -51.61 41.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.79 -0.641 . . . . 12.98 109.845 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 47.25 67.53 0.79 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.001 -0.999 . . . . 10.97 110.585 -177.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -135.82 76.89 1.63 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.187 -0.915 . . . . 11.6 108.948 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.8 tpt -76.39 -24.86 54.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.74 -0.664 . . . . 10.21 109.949 -176.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -80.65 106.85 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.722 -0.672 . . . . 6.41 109.484 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -153.93 -37.57 0.1 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.599 -0.728 . . . . 9.52 109.402 -175.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -88.97 -57.78 2.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.364 -0.835 . . . . 8.89 109.74 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.99 69.04 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.657 0.742 . . . . 4.24 109.486 177.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.86 149.62 6.76 Favored Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.221 -0.899 . . . . 2.15 111.544 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 p -67.45 -28.16 67.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.984 0.421 . . . . 1.81 111.177 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.1 -4.93 60.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.123 -0.56 . . . . 1.36 112.936 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -105.92 -38.01 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.975 0.361 . . . . 2.66 111.975 -174.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.65 156.15 27.74 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.6 -0.44 . . . . 1.26 110.869 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.561 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -46.62 -55.25 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.935 0.772 . . . . 0.74 112.236 -176.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.29 -37.11 45.66 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.816 0.673 . . . . 0.37 112.816 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.4 m -74.98 -21.81 58.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.758 0.314 . . . . 0.64 111.502 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -87.13 -23.01 25.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.984 0.421 . . . . 2.02 110.295 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 19' ' ' ALA . 60.4 t -74.15 131.91 34.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.628 -0.714 . . . . 0.85 109.525 175.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 p -111.2 -29.47 7.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.042 0.449 . . . . 1.46 111.684 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -120.85 -175.03 2.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.431 0.634 . . . . 1.88 111.471 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -62.49 108.49 1.14 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.177 -0.919 . . . . 1.08 110.25 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.5 p -59.2 -26.44 64.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.659 -0.701 . . . . 0.99 112.467 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.92 18.07 64.06 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.797 -0.716 . . . . 0.88 113.133 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.4 -0.85 6.29 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.412 0.893 . . . . 1.05 113.412 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.65 ' O ' HD13 ' A' ' 34' ' ' LEU . 10.9 m -101.5 134.32 44.78 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.349 -0.612 . . . . 0.78 109.349 178.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 m -50.93 -22.21 2.13 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.986 0.422 . . . . 1.64 110.974 173.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -80.24 -56.63 4.08 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.024 -0.535 . . . . 1.07 111.595 176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.567 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 23.9 p -70.53 -11.25 60.81 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 122.02 -0.425 . . . . 0.7 112.079 -175.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.2 mp -75.17 -9.42 58.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.704 0.288 . . . . 1.14 111.423 177.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.4 mt -76.41 -35.29 58.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.423 -0.353 . . . . 1.41 110.192 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 51.96 71.35 0.47 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.777 -0.647 . . . . 3.64 112.101 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.64 138.22 50.95 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.833 -0.432 . . . . 4.23 109.833 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.78 76.92 0.57 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.143 2.562 . . . . 4.36 113.084 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 55.86 43.67 27.18 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.882 -0.599 . . . . 7.22 111.262 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.06 123.52 20.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.609 -0.723 . . . . 6.75 109.965 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 p -69.59 94.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.815 0.817 . . . . 7.39 109.885 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.32 133.52 52.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.462 -0.79 . . . . 7.54 111.089 -175.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.7 m -143.15 -33.55 0.44 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.688 -0.687 . . . . 6.99 109.815 175.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.59 -38.92 6.05 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.952 -0.642 . . . . 4.95 111.911 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.34 122.49 35.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.037 0.446 . . . . 4.43 110.244 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -86.58 65.37 8.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.981 -0.554 . . . . 4.83 110.811 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.2 p -92.19 28.2 1.97 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.756 -0.657 . . . . 2.93 110.292 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -91.18 150.37 21.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.587 -0.733 . . . . 2.76 110.68 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.567 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 15.7 t -53.08 124.56 14.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.285 0.564 . . . . 0.57 110.536 174.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.524 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 33.1 mt-10 -64.63 -15.38 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.263 -0.88 . . . . 1.91 111.842 -176.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -90.99 30.57 1.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.427 0.632 . . . . 3.1 109.927 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.532 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -111.42 -10.23 14.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.181 -0.918 . . . . 1.79 108.576 170.481 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -86.83 112.72 22.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.137 -1.392 . . . . 2.9 110.04 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 t -52.7 131.7 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 0.69 110.344 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.66 -38.16 62.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 1.28 111.574 -173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -107.28 -1.78 21.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.045 0.45 . . . . 3.38 111.318 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 57' ' ' ILE . 28.0 mt 47.73 44.93 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 114.991 -1.004 . . . . 2.03 111.259 -178.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.8 t -81.49 69.68 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.716 0.77 . . . . 3.59 110.101 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -114.5 19.39 16.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.262 -0.881 . . . . 6.43 109.378 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -60.91 109.07 0.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.307 -0.86 . . . . 8.03 111.064 -177.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.678 -0.677 . . . . 7.87 110.022 177.4 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 112.141 -0.384 . . . . 17.98 112.141 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.09 143.91 61.46 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.535 2.157 . . . . 17.34 112.066 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.8 tp 62.8 54.88 2.19 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.642 0.734 . . . . 17.47 110.485 -176.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.79 -174.32 46.76 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.573 -0.74 . . . . 15.28 111.732 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -105.04 -54.23 2.53 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.945 -0.391 . . . . 13.77 109.945 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 55.64 71.53 0.54 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.692 0.62 . . . . 12.98 110.872 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -108.46 -60.62 1.71 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.257 -0.429 . . . . 10.97 110.324 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 60.46 91.82 0.05 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.811 0.695 . . . . 11.6 111.339 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.2 mtm 67.07 -153.95 0.21 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.568 -0.742 . . . . 10.21 109.994 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HE2' ' NH2' ' A' ' 52' ' ' ARG . 58.6 m-85 -76.93 135.72 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.119 0.485 . . . . 6.41 110.429 177.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 13' ' ' VAL . 53.4 tttp -150.62 105.44 3.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.449 -0.796 . . . . 9.52 109.404 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 71.12 -28.38 0.18 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.952 0.901 . . . . 8.89 112.017 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.424 ' H ' ' C ' ' A' ' 11' ' ' LYS . 21.0 m -91.47 -1.57 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.018 0.437 . . . . 4.24 110.417 174.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.2 78.89 1.53 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.22 -0.752 . . . . 2.15 111.22 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -63.81 -27.13 68.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.976 0.417 . . . . 1.81 111.427 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.17 8.02 64.33 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.95 -0.568 . . . . 1.36 112.723 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -113.6 -41.64 3.59 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.889 -0.183 . . . . 2.66 111.215 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -79.87 152.9 29.39 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.033 -0.358 . . . . 1.26 110.033 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.93 -55.51 5.4 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.823 0.702 . . . . 0.74 112.239 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.85 -42.47 36.55 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.889 0.7 . . . . 0.37 112.889 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -72.55 -16.16 61.76 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.837 0.31 . . . . 0.64 111.837 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -89.18 -19.95 24.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.43 0.634 . . . . 2.02 109.996 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 19' ' ' ALA . 39.1 t -77.07 157.72 5.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.764 -1.107 . . . . 0.85 110.242 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.549 HG23 ' HG3' ' A' ' 25' ' ' GLU . 13.4 t -140.75 3.38 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.827 0.346 . . . . 1.46 111.257 175.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.549 ' HG3' HG23 ' A' ' 24' ' ' THR . 21.3 mt-10 -137.59 176.75 8.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.361 -0.381 . . . . 1.88 110.397 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -68.08 117.15 9.54 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.596 -0.89 . . . . 1.08 108.596 167.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.2 p -59.24 -28.41 66.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.274 0.842 . . . . 0.99 113.274 -169.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.543 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 81.71 19.79 65.07 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.457 -0.878 . . . . 0.88 112.922 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.44 -6.95 6.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.027 0.751 . . . . 1.05 113.027 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.57 ' O ' HD13 ' A' ' 34' ' ' LEU . 12.9 m -97.02 130.58 44.32 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.066 -0.716 . . . . 0.78 109.066 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.499 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.1 p -52.57 -22.37 4.89 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.329 0.393 . . . . 1.64 110.895 173.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.8 m -78.31 -55.86 4.91 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.068 -0.514 . . . . 1.07 111.576 174.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.567 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 19.5 p -69.19 -16.11 63.54 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 122.061 -0.4 . . . . 0.7 111.447 -175.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.5 mp -77.32 -14.75 59.67 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.805 0.298 . . . . 1.14 111.805 176.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 31' ' ' SER . 98.0 mt -78.36 -9.39 59.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.701 0.286 . . . . 1.41 111.541 -175.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 59.74 34.22 21.96 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.806 -0.633 . . . . 3.64 111.503 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 95.7 mt -80.48 123.34 82.9 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.192 -0.458 . . . . 4.23 110.933 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 14.9 Cg_exo -68.29 148.04 73.37 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.738 2.292 . . . . 4.36 111.318 174.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -99.19 89.04 4.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.136 0.493 . . . . 7.22 109.948 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -90.38 -40.06 12.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.698 -0.683 . . . . 6.75 109.958 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.6 169.74 21.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.72 -0.673 . . . . 7.39 110.564 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.21 27.09 5.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.683 -0.689 . . . . 7.54 109.69 175.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.0 t -110.9 126.93 55.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.511 -0.768 . . . . 6.99 110.201 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.51 -51.46 2.07 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.892 -0.67 . . . . 4.95 112.44 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.4 mt -129.82 164.85 23.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.859 0.361 . . . . 4.43 111.136 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -139.62 80.83 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 4.83 109.255 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.6 p -86.48 52.77 2.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.78 -0.645 . . . . 2.93 111.132 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.49 143.84 25.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.758 -0.656 . . . . 2.76 110.95 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.58 130.79 41.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.57 109.572 170.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.23 -14.35 60.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 1.91 111.96 -174.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -99.59 34.24 2.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.361 0.601 . . . . 3.1 110.458 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -118.0 -21.62 8.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.711 -0.677 . . . . 1.79 109.419 172.668 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -89.18 122.62 32.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.366 -0.834 . . . . 2.9 109.782 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 37.4 t -53.93 115.53 2.07 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.09 0.244 . . . . 0.69 110.654 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.74 -11.65 59.9 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.887 0.375 . . . . 1.28 111.141 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -139.37 67.23 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.654 -0.498 . . . . 3.38 109.654 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.06 116.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.468 -0.787 . . . . 2.03 111.13 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -95.13 150.44 4.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.724 -0.671 . . . . 3.59 109.852 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 62.37 75.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.435 0.636 . . . . 6.43 110.259 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -139.45 156.35 47.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.916 -0.583 . . . . 8.03 110.662 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.445 -0.788 . . . . 7.87 110.114 179.743 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.47 -0.652 . . . . 17.98 111.47 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.7 -5.78 15.14 Favored 'Trans proline' 0 N--CA 1.475 0.398 0 C-N-CA 122.915 2.41 . . . . 17.34 112.566 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.56 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.9 pt? -121.99 28.26 7.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.763 -0.653 . . . . 17.47 109.43 177.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.55 -126.66 7.69 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.579 -0.737 . . . . 15.28 111.48 -176.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m -125.77 -44.6 1.8 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.29 -0.263 . . . . 13.77 110.29 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 53.72 59.32 4.39 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.375 0.607 . . . . 12.98 111.029 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -98.14 101.94 13.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.465 -0.789 . . . . 10.97 109.881 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -78.43 -21.49 49.1 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.868 -0.333 . . . . 11.6 110.877 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.0 mtt 53.83 29.97 10.61 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.576 0.75 . . . . 10.21 113.008 171.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 57.51 27.2 13.69 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.922 0.392 . . . . 6.41 111.543 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 96.1 mttt -86.27 8.41 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 9.52 110.831 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -149.72 -70.69 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.353 0.596 . . . . 8.89 109.78 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.07 137.8 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 4.24 109.974 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.47 -126.42 0.82 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.294 -0.955 . . . . 2.15 112.949 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -59.58 -33.31 71.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.517 0.562 . . . . 1.81 112.517 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.16 0.34 90.16 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.724 -0.75 . . . . 1.36 112.977 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -110.71 -37.96 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.066 0.433 . . . . 2.66 111.878 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.7 p -76.53 156.78 32.61 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.961 -0.295 . . . . 1.26 110.969 -173.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.48 -57.07 3.28 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 124.061 0.851 . . . . 0.74 112.694 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.56 -31.34 64.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.625 0.602 . . . . 0.37 112.625 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.8 m -73.4 -23.29 60.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.64 111.124 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -89.18 -28.8 19.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.327 -0.397 . . . . 2.02 110.64 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 19' ' ' ALA . 99.4 t -72.71 132.12 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.85 109.895 177.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 p -111.77 -27.85 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.004 0.372 . . . . 1.46 112.004 -176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.04 -176.91 4.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.408 -0.36 . . . . 1.88 110.569 -176.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.69 120.66 13.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.532 0.682 . . . . 1.08 110.485 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -25.49 67.26 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.388 -0.824 . . . . 0.99 111.436 177.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.36 4.88 90.01 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.964 -0.562 . . . . 0.88 114.495 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.59 26.0 4.4 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.951 0.875 . . . . 1.05 112.426 -178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.469 ' O ' HD13 ' A' ' 34' ' ' LEU . 3.8 m -116.68 158.57 23.57 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.431 -0.581 . . . . 0.78 109.431 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -48.29 -49.58 33.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.156 0.503 . . . . 1.64 110.825 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -33.22 56.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.997 -0.547 . . . . 1.07 111.559 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.444 ' HB2' ' H ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -64.65 -27.62 69.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.7 111.564 178.244 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.5 mp -78.23 -15.71 58.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.146 0.498 . . . . 1.14 110.453 176.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.3 mt -84.49 7.21 20.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.859 -0.61 . . . . 1.41 110.085 175.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' ' 47' ' ' CYS . 19.2 mm-40 -79.97 88.02 5.36 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.289 0.566 . . . . 3.64 109.942 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.8 mt -80.88 139.4 50.0 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.403 -0.817 . . . . 4.23 110.009 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.99 42.17 0.81 Allowed 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.906 2.404 . . . . 4.36 112.581 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -170.73 85.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.668 -0.696 . . . . 7.22 109.614 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.88 125.92 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.688 -0.687 . . . . 6.75 110.257 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.6 m -85.14 -12.95 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.438 -0.346 . . . . 7.39 110.684 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 73.91 -40.33 0.45 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 124.063 0.852 . . . . 7.54 111.754 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 m -80.08 59.56 3.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.121 0.486 . . . . 6.99 111.258 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.89 -120.74 6.67 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.744 -0.741 . . . . 4.95 112.652 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER 62.27 88.03 0.1 Allowed 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.193 0.597 . . . . 4.43 109.513 -175.18 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -76.79 116.44 17.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.555 0.693 . . . . 4.83 110.499 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.423 ' HB2' HE21 ' A' ' 36' ' ' GLN . 2.4 p -147.75 40.39 0.99 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.411 -0.813 . . . . 2.93 110.071 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -85.84 107.64 17.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.328 -0.851 . . . . 2.76 110.086 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 51' ' ' ARG . 18.4 t -50.41 133.86 24.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.455 -0.793 . . . . 0.57 112.26 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.81 -16.94 61.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.199 -0.909 . . . . 1.91 111.233 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 26.1 mmm180 -92.12 29.11 1.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.517 . . . . 3.1 110.221 177.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -109.81 -17.4 13.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.518 -0.764 . . . . 1.79 109.413 173.267 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 80.2 mtp180 -80.91 127.11 32.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.728 -1.123 . . . . 2.9 110.128 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.532 ' HB3' HG12 ' A' ' 57' ' ' ILE . 49.4 t -50.94 117.79 2.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.643 -0.708 . . . . 0.69 111.358 -178.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.87 -10.04 59.36 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.273 0.559 . . . . 1.28 110.546 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -140.16 65.45 1.42 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.629 -0.714 . . . . 3.38 110.042 -175.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.532 HG12 ' HB3' ' A' ' 54' ' ' CYS . 69.5 mt -71.46 97.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.167 0.508 . . . . 2.03 110.189 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.5 p -103.69 56.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.429 1.109 . . . . 3.59 109.577 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.59 168.83 17.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.161 -0.927 . . . . 6.43 110.597 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -131.28 83.85 2.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.792 -0.447 . . . . 8.03 109.792 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.4 -0.809 . . . . 7.87 110.45 179.654 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.975 -0.45 . . . . 17.98 111.975 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.13 -22.65 67.32 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.81 2.34 . . . . 17.34 112.62 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.8 mt -75.6 122.6 24.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.347 . . . . 17.47 110.091 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.91 16.39 56.3 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.639 -0.791 . . . . 15.28 112.03 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -72.55 -43.19 63.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.493 -0.558 . . . . 13.77 109.493 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -123.2 109.85 14.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.664 -0.698 . . . . 12.98 109.374 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -75.57 107.57 7.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.996 0.426 . . . . 10.97 110.743 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -64.58 148.71 50.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.685 -0.689 . . . . 11.6 110.395 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.2 tpt 74.78 -10.89 1.12 Allowed 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.717 0.636 . . . . 10.21 110.924 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 13' ' ' VAL . 64.7 m-85 50.51 72.1 0.37 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.232 0.613 . . . . 6.41 112.612 170.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -85.52 118.07 24.81 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.722 -0.473 . . . . 9.52 109.722 174.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 59.88 32.3 21.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.915 0.864 . . . . 8.89 109.608 -173.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 80.7 t -142.82 145.03 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.236 -0.893 . . . . 4.24 109.129 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.62 -158.25 10.09 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.545 -0.836 . . . . 2.15 112.014 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.7 p -61.59 -31.64 71.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.738 0.304 . . . . 1.81 111.734 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.09 -21.31 42.77 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.038 -0.601 . . . . 1.36 113.246 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -103.63 -26.96 12.59 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.659 0.614 . . . . 2.66 112.659 -171.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 p -78.36 157.65 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.329 -0.548 . . . . 1.26 110.587 -176.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -43.97 -56.84 3.67 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 124.076 0.86 . . . . 0.74 112.436 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.67 63.86 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.425 0.528 . . . . 0.37 112.425 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.7 m -72.44 -30.38 64.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 0.64 111.318 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -88.52 -8.67 54.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.116 0.484 . . . . 2.02 110.239 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 19' ' ' ALA . 95.9 t -76.04 147.58 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.537 -0.756 . . . . 0.85 109.516 174.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -109.88 -41.99 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.0 0.37 . . . . 1.46 112.0 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -118.5 -176.96 3.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.799 0.333 . . . . 1.88 110.978 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.79 138.02 57.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.14 -0.689 . . . . 1.08 109.14 173.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 p -64.67 -21.35 66.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.048 0.759 . . . . 0.99 113.048 -173.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.413 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 71.97 18.75 77.91 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.934 -0.65 . . . . 0.88 113.342 -176.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.17 14.9 3.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.791 1.034 . . . . 1.05 113.791 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.591 ' O ' HD13 ' A' ' 34' ' ' LEU . 27.0 m -103.87 140.75 37.24 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.494 -0.928 . . . . 0.78 108.494 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.2 p -50.87 -27.63 7.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.406 0.622 . . . . 1.64 110.306 172.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -56.75 4.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.445 -0.798 . . . . 1.07 111.794 178.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.586 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 21.8 p -69.63 -9.25 53.42 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.125 -0.359 . . . . 0.7 111.826 -174.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.8 mp -81.82 -2.08 49.71 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.03 0.381 . . . . 1.14 112.03 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.4 mt -75.3 -16.12 60.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.08 0.467 . . . . 1.41 111.256 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 59.37 47.97 10.61 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.009 -0.996 . . . . 3.64 110.645 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.1 mt -79.34 115.13 50.79 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 4.23 110.823 -176.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.23 52.43 4.32 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.897 2.398 . . . . 4.36 111.716 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.43 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 18.8 m-70 -124.7 56.52 1.3 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.88 -0.6 . . . . 7.22 110.872 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.47 -46.53 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.922 0.391 . . . . 6.75 110.095 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 m -76.68 -29.74 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.232 0.539 . . . . 7.39 109.894 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 39' ' ' HIS . . . -104.34 59.59 0.71 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.633 -0.712 . . . . 7.54 109.548 174.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 p -76.83 63.64 2.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.539 -0.755 . . . . 6.99 111.874 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.13 -2.94 70.5 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.357 -0.697 . . . . 4.95 111.357 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -91.57 105.77 18.0 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.722 -0.473 . . . . 4.43 109.722 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -84.33 -4.65 59.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.035 -0.53 . . . . 4.83 110.718 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.3 m -89.75 78.91 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.399 -0.593 . . . . 2.93 109.399 173.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -98.97 -179.64 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.656 -0.702 . . . . 2.76 111.566 -175.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 41.5 t -54.21 129.72 36.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.57 110.601 173.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.54 -21.44 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.883 -0.598 . . . . 1.91 112.297 -177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -93.98 24.23 4.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.349 0.595 . . . . 3.1 110.676 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -113.84 -11.24 12.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.818 0.818 . . . . 1.79 108.988 172.446 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -87.66 114.01 23.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.504 -1.226 . . . . 2.9 109.859 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.3 t -50.57 128.76 21.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 0.69 111.318 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.93 -4.86 49.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.28 110.847 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.473 ' HB3' ' HB2' ' A' ' 59' ' ' GLU . 94.1 mtt180 -138.21 61.43 1.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.368 -0.378 . . . . 3.38 110.019 -176.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.468 HG22 HG23 ' A' ' 58' ' ' VAL . 69.3 mt -67.18 114.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.09 -0.504 . . . . 2.03 110.596 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.468 HG23 HG22 ' A' ' 57' ' ' ILE . 17.4 t 58.4 63.75 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 121.645 0.735 . . . . 3.59 110.179 -176.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 56' ' ' ARG . 10.5 tp10 -101.2 106.4 17.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.413 -0.812 . . . . 6.43 110.5 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -70.94 102.32 2.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.062 0.458 . . . . 8.03 109.786 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.695 -0.669 . . . . 7.87 110.593 -176.713 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.562 -0.615 . . . . 17.98 111.562 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.63 -40.78 62.15 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.897 2.398 . . . . 17.34 112.428 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.9 mt -106.58 89.38 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.378 -0.373 . . . . 17.47 110.208 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.81 -53.36 11.74 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.761 -0.733 . . . . 15.28 111.337 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 m -86.0 94.59 9.26 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.869 -0.419 . . . . 13.77 109.869 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -100.12 23.79 9.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.037 0.446 . . . . 12.98 111.586 -175.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -104.82 45.72 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.628 0.728 . . . . 10.97 109.625 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -108.73 73.81 0.88 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.524 -0.762 . . . . 11.6 109.969 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.418 ' HG2' ' CD2' ' A' ' 10' ' ' PHE . 57.7 ttp -76.14 125.75 29.73 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.407 -0.59 . . . . 10.21 109.407 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD2' ' HG2' ' A' ' 9' ' ' MET . 70.7 m-85 66.7 84.4 0.16 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 124.009 0.818 . . . . 6.41 110.577 -174.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -150.79 -35.21 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.153 -0.476 . . . . 9.52 110.63 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -82.64 -17.97 42.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.112 0.482 . . . . 8.89 109.972 178.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 p -93.34 -18.52 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.669 -0.696 . . . . 4.24 109.801 172.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.86 -146.09 16.4 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.811 -0.709 . . . . 2.15 112.45 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 18.5 p -63.07 -31.73 72.94 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.045 0.757 . . . . 1.81 113.045 -177.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' A' ' 10' ' ' PHE . . . 85.2 -4.55 85.38 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.643 -0.789 . . . . 1.36 113.398 -176.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -116.16 -22.61 8.83 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 117.506 0.653 . . . . 2.66 112.737 -175.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -81.92 160.82 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.524 -0.471 . . . . 1.26 110.338 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.82 -57.26 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.836 0.71 . . . . 0.74 111.959 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.58 -34.01 35.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.423 0.527 . . . . 0.37 112.423 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 m -72.73 -26.09 61.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.016 0.376 . . . . 0.64 112.016 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -91.56 -13.68 31.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.145 0.498 . . . . 2.02 110.717 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 19' ' ' ALA . 95.9 t -74.56 139.64 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.741 -0.663 . . . . 0.85 110.756 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.2 p -101.99 -42.65 6.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.39 -0.368 . . . . 1.46 111.3 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -121.04 142.89 49.39 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.642 -0.503 . . . . 1.88 109.642 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.53 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -67.19 157.44 33.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.238 0.542 . . . . 1.08 110.218 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -28.32 69.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.206 -0.907 . . . . 0.99 113.049 -170.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.96 8.05 46.79 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 114.347 0.499 . . . . 0.88 114.347 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.23 -2.95 3.92 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.364 1.246 . . . . 1.05 114.364 -174.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.491 ' O ' HD13 ' A' ' 34' ' ' LEU . 15.0 p -102.29 143.97 31.38 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 118.944 0.793 . . . . 0.78 110.081 -176.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -48.97 -22.31 0.84 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.184 0.928 . . . . 1.64 113.14 -170.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.4 m -75.57 -57.14 4.06 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.206 -0.197 . . . . 1.07 111.191 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 30.4 p -71.04 -13.21 61.91 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.976 0.417 . . . . 0.7 111.319 -178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.1 mp -78.95 -0.03 29.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 1.14 111.317 177.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.12 -30.1 60.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.632 -0.507 . . . . 1.41 109.632 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 54.78 51.38 13.86 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.4 0.437 . . . . 3.64 111.127 172.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.23 129.78 62.35 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.867 -0.606 . . . . 4.23 110.274 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -65.61 -25.38 54.68 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.794 2.329 . . . . 4.36 112.274 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -104.05 105.3 15.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 7.22 110.224 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -74.72 107.79 7.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.252 -0.431 . . . . 6.75 110.076 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.6 m -101.1 120.63 50.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.245 0.545 . . . . 7.39 110.823 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.86 -13.26 10.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.621 -0.718 . . . . 7.54 111.206 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 m -110.19 50.25 0.81 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.791 0.805 . . . . 6.99 109.055 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 45' ' ' LEU . . . 143.82 135.71 3.01 Favored Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 110.106 -1.198 . . . . 4.95 110.106 -174.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 4.5 mm? 67.27 177.86 0.24 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.038 0.447 . . . . 4.43 110.692 -175.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -148.34 71.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.083 -0.508 . . . . 4.83 109.704 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.9 p -94.13 13.57 22.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.795 -0.638 . . . . 2.93 110.58 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -87.76 138.92 31.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.455 -0.793 . . . . 2.76 110.996 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.587 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 53.2 t -48.08 141.94 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.423 -0.808 . . . . 0.57 110.704 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.7 -22.04 61.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.847 -0.615 . . . . 1.91 111.443 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HB3' HG21 ' A' ' 23' ' ' VAL . 25.7 mmt180 -97.02 21.59 9.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.094 0.473 . . . . 3.1 110.879 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.653 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -125.35 -35.38 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.474 . . . . 1.79 110.647 176.632 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -81.45 118.11 22.43 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.893 -0.594 . . . . 2.9 110.461 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.7 t -54.29 125.21 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.748 -0.66 . . . . 0.69 111.046 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -78.45 -3.04 41.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.491 . . . . 1.28 111.168 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 97.4 mtt180 -142.12 68.87 1.32 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.554 -0.536 . . . . 3.38 109.554 -176.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.7 mt -66.32 90.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.287 0.565 . . . . 2.03 110.51 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 m -92.3 76.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.859 0.838 . . . . 3.59 111.41 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -87.86 13.8 10.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.649 -0.705 . . . . 6.43 110.547 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 69.15 10.8 8.03 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.544 -0.753 . . . . 8.03 111.384 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.116 -0.945 . . . . 7.87 111.373 178.712 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.512 -0.635 . . . . 17.98 111.512 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.8 70.41 4.32 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 123.146 2.564 . . . . 17.34 112.428 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.87 119.59 12.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.323 -0.399 . . . . 17.47 110.456 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.45 1.08 64.49 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.895 -0.669 . . . . 15.28 111.863 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -123.27 105.36 9.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.803 0.335 . . . . 13.77 110.586 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -68.38 97.0 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.949 -0.569 . . . . 12.98 109.559 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -138.34 76.61 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 10.97 111.117 -177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' A' ' 8' ' ' ARG . 19.1 tpt180 -81.8 -27.17 33.82 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.88 -0.785 . . . . 11.6 108.88 173.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.7 mtt -78.16 150.59 33.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.288 -0.869 . . . . 10.21 109.502 171.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.539 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 66.7 m-85 55.38 63.58 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.586 0.554 . . . . 6.41 111.239 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -84.89 -28.21 26.13 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.06 -0.718 . . . . 9.52 109.06 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -143.96 147.75 34.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.047 -0.979 . . . . 8.89 109.071 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t 60.89 66.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.637 0.732 . . . . 4.24 110.069 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.539 ' O ' ' HB3' ' A' ' 10' ' ' PHE . . . 124.3 114.84 2.1 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.555 -0.748 . . . . 2.15 111.579 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -68.64 -20.95 64.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.845 0.355 . . . . 1.81 110.958 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.521 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 101.26 -31.39 8.72 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.794 -0.717 . . . . 1.36 113.966 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -106.47 -12.3 15.67 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.323 0.86 . . . . 2.66 113.323 -171.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -81.28 150.25 28.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.669 -0.493 . . . . 1.26 109.669 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -47.13 -63.81 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.74 110.812 178.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 51' ' ' ARG . . . -55.96 -32.44 63.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.588 -0.733 . . . . 0.37 112.494 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.521 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 33.8 m -78.92 -9.73 59.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.124 0.416 . . . . 0.64 112.124 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 48.0 mt-30 -94.38 -31.59 13.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.39 0.614 . . . . 2.02 109.474 172.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 19' ' ' ALA . 42.3 t -76.76 141.0 16.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.85 109.988 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.3 t -136.09 5.59 3.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.469 0.652 . . . . 1.46 110.518 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -120.79 156.74 31.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.448 -0.796 . . . . 1.88 109.662 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.13 106.83 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.004 -0.739 . . . . 1.08 109.004 170.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.3 p -57.08 -24.79 56.45 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.256 0.836 . . . . 0.99 113.256 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' C ' HD11 ' A' ' 34' ' ' LEU . . . 77.37 19.27 76.85 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.582 -0.818 . . . . 0.88 113.005 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.93 2.23 5.96 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.188 0.81 . . . . 1.05 113.188 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.615 ' O ' HD13 ' A' ' 34' ' ' LEU . 14.0 m -103.43 135.08 45.71 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.72 -0.845 . . . . 0.78 108.72 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 m -51.59 -21.39 2.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.989 0.424 . . . . 1.64 110.649 172.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.4 m -82.14 -55.93 4.25 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.802 -0.635 . . . . 1.07 112.295 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.568 ' HB3' ' HA ' ' A' ' 49' ' ' CYS . 29.8 p -68.22 -13.65 62.4 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.796 -0.565 . . . . 0.7 111.966 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.6 mp -78.67 -11.84 59.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 1.14 110.957 175.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.34 8.01 20.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 1.41 111.426 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -82.19 60.0 4.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.441 0.639 . . . . 3.64 110.202 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.3 mt -82.69 145.3 50.35 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.249 -0.887 . . . . 4.23 110.163 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.13 23.35 0.58 Allowed 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.842 2.362 . . . . 4.36 112.788 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -142.77 42.38 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.29 -0.414 . . . . 7.22 110.176 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.65 121.46 17.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.435 0.636 . . . . 6.75 109.974 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.01 -15.42 10.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.755 -0.657 . . . . 7.39 110.743 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.45 118.32 23.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.257 -0.429 . . . . 7.54 110.612 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.1 p -69.75 113.49 7.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 6.99 110.351 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.39 22.96 25.49 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.762 -0.732 . . . . 4.95 111.906 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.14 114.68 3.57 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.522 -0.547 . . . . 4.43 109.522 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -79.75 112.07 16.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.198 -0.456 . . . . 4.83 110.213 -176.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.5 p -140.53 34.58 1.84 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.377 0.608 . . . . 2.93 110.801 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -86.84 124.1 32.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.856 -0.611 . . . . 2.76 110.772 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 52.9 t -52.2 125.8 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.327 -0.852 . . . . 0.57 111.047 178.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.476 ' OE2' ' HB3' ' A' ' 30' ' ' CYS . 30.9 mt-10 -66.52 -18.35 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.143 -0.935 . . . . 1.91 111.346 -177.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 51' ' ' ARG . 26.2 mtm180 -103.72 33.74 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.343 0.592 . . . . 3.1 110.369 172.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -115.44 -23.55 8.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.304 -0.862 . . . . 1.79 109.577 168.432 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -84.34 120.04 25.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.513 -1.221 . . . . 2.9 110.238 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB3' HG12 ' A' ' 57' ' ' ILE . 53.2 t -54.59 130.4 39.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.172 0.51 . . . . 0.69 111.516 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.27 -25.69 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.527 -0.761 . . . . 1.28 111.232 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.0 ptt85 -142.42 72.46 1.38 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.802 0.81 . . . . 3.38 110.19 -175.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.403 HG12 ' HB3' ' A' ' 54' ' ' CYS . 70.2 mt -60.0 129.33 22.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.847 -1.07 . . . . 2.03 111.276 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.1 m -104.65 -7.72 9.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.377 0.608 . . . . 3.59 111.023 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -105.86 83.75 1.96 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.475 -0.784 . . . . 6.43 109.836 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -127.59 137.4 52.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.412 -0.358 . . . . 8.03 110.54 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.588 -0.72 . . . . 7.87 110.084 -179.34 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.003 -0.439 . . . . 17.98 112.003 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.98 -14.07 29.16 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.787 2.325 . . . . 17.34 113.188 -178.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.72 128.4 36.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.957 0.408 . . . . 17.47 110.668 -179.117 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.34 178.63 24.51 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.847 -0.615 . . . . 15.28 111.712 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 m -75.49 94.56 3.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.028 0.442 . . . . 13.77 110.207 178.209 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.12 158.78 20.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.096 -0.502 . . . . 12.98 110.991 -177.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.526 ' NE2' HH12 ' A' ' 60' ' ' ARG . 3.7 pt20 -138.44 154.04 48.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.803 -0.635 . . . . 10.97 110.287 176.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -83.56 52.1 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.977 -0.556 . . . . 11.6 110.653 177.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 65.38 -84.4 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.188 -0.915 . . . . 10.21 111.586 -178.34 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -150.52 -170.93 3.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.155 -0.313 . . . . 6.41 110.155 -177.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -83.64 -59.92 2.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.153 0.502 . . . . 9.52 109.896 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -134.24 44.77 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.571 -0.74 . . . . 8.89 109.179 179.221 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.587 ' HB ' ' NH2' ' A' ' 52' ' ' ARG . 45.6 t 59.97 80.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.517 -0.765 . . . . 4.24 110.329 -174.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 136.03 144.03 4.8 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.469 -0.787 . . . . 2.15 112.376 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 16' ' ' GLY . 22.6 p -67.81 -59.99 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.598 0.237 . . . . 1.81 110.887 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.475 ' N ' ' SG ' ' A' ' 15' ' ' CYS . . . 161.3 -32.31 0.36 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.664 -0.779 . . . . 1.36 113.835 177.768 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -104.18 -13.17 16.31 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.266 1.21 . . . . 2.66 114.266 -169.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 m -80.9 158.98 25.11 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.181 -0.608 . . . . 1.26 109.627 178.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -48.43 -61.23 2.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.74 110.643 175.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.14 -41.2 26.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.567 -0.742 . . . . 0.37 112.312 174.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.9 m -77.89 -9.49 59.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.95 -0.568 . . . . 0.64 112.027 -176.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -87.74 -26.46 22.9 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.151 -0.685 . . . . 2.02 109.151 170.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 19' ' ' ALA . 53.5 t -77.13 139.21 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.659 -1.155 . . . . 0.85 110.72 -178.206 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -121.55 -20.81 6.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.415 -0.357 . . . . 1.46 111.765 -178.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -133.42 -170.08 2.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.061 0.458 . . . . 1.88 110.764 -177.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -65.56 112.3 3.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.64 -0.709 . . . . 1.08 109.622 171.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.441 ' SG ' HG11 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -63.79 -30.59 71.66 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.831 -0.622 . . . . 0.99 110.837 -179.602 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.01 6.07 82.56 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.723 -0.671 . . . . 0.88 113.951 174.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.01 31.97 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.541 0.671 . . . . 1.05 111.942 -178.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.2 m -124.35 155.43 38.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 119.411 -0.328 . . . . 0.78 110.259 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -46.9 -50.82 18.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.969 0.414 . . . . 1.64 111.21 178.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.431 ' HB ' ' HA ' ' A' ' 49' ' ' CYS . 7.7 m -77.05 -31.03 55.89 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.209 -0.451 . . . . 1.07 111.267 -179.493 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.2 m -68.45 -28.15 66.8 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.848 0.314 . . . . 0.7 111.848 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 30' ' ' CYS . 5.7 mp -76.38 -13.29 60.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.8 0.333 . . . . 1.14 110.78 179.326 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.4 mt -83.19 -8.65 59.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.14 -0.482 . . . . 1.41 110.07 175.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -84.48 79.9 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.913 -0.585 . . . . 3.64 110.017 -177.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 70.8 mt -80.64 135.48 52.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.707 -0.679 . . . . 4.23 110.461 -178.41 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 54.3 Cg_exo -51.6 -65.71 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.38 2.72 . . . . 4.36 114.647 -171.19 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -144.31 -0.62 0.97 Allowed 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.504 0.557 . . . . 7.22 112.504 -173.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -89.62 13.95 12.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.768 0.318 . . . . 6.75 111.768 -172.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.1 m -121.13 117.59 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.121 0.486 . . . . 7.39 110.549 175.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.55 57.83 3.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.145 -0.48 . . . . 7.54 110.64 -178.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -156.35 155.8 32.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.06 -0.518 . . . . 6.99 109.891 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.55 64.64 3.79 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.985 -0.626 . . . . 4.95 112.193 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -80.75 102.34 9.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.696 -0.483 . . . . 4.43 109.696 -178.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -89.7 -82.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.295 -0.411 . . . . 4.83 109.954 175.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.6 m 58.26 109.68 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.236 0.541 . . . . 2.93 111.494 -177.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -82.68 125.0 30.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.207 0.527 . . . . 2.76 111.074 -176.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.431 ' HA ' ' HB ' ' A' ' 32' ' ' THR . 1.5 t -56.0 134.61 52.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.256 -0.884 . . . . 0.57 111.112 176.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.11 -22.23 66.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.286 -0.87 . . . . 1.91 111.171 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -96.27 37.86 1.23 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.058 -0.519 . . . . 3.1 109.895 178.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.587 ' NH2' ' HB ' ' A' ' 13' ' ' VAL . 17.6 mmm-85 -122.85 -24.72 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.382 0.611 . . . . 1.79 110.812 174.208 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -79.54 132.77 36.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.304 -0.862 . . . . 2.9 110.345 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.491 ' HB3' HG12 ' A' ' 57' ' ' ILE . 42.8 t -55.03 107.68 0.33 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.69 110.596 177.116 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.65 -15.55 59.78 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.171 0.51 . . . . 1.28 110.743 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -139.95 73.34 1.42 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.719 -0.845 . . . . 3.38 108.719 -175.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.491 HG12 ' HB3' ' A' ' 54' ' ' CYS . 20.8 mt -71.28 77.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.765 -0.652 . . . . 2.03 110.635 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.9 m -74.4 0.81 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 3.59 111.43 -178.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.15 -35.37 31.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.554 -0.748 . . . . 6.43 109.636 175.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.526 HH12 ' NE2' ' A' ' 7' ' ' GLN . 28.0 ttp-105 -179.04 95.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.737 -0.665 . . . . 8.03 110.256 -178.088 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.253 1.257 0 CA-C-O 118.755 -0.641 . . . . 7.87 109.843 175.399 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.838 -0.505 . . . . 17.98 111.838 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.68 54.31 4.39 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.333 2.689 . . . . 17.34 112.255 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.9 tp -81.55 102.88 10.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.882 -0.599 . . . . 17.47 110.269 -179.258 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.2 -27.99 35.13 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.695 -0.764 . . . . 15.28 111.633 178.18 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.8 p 48.64 73.41 0.22 Allowed 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.542 0.737 . . . . 13.77 111.721 179.434 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 63.49 66.03 0.72 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.598 -0.728 . . . . 12.98 111.233 177.542 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.43 -21.84 61.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.921 -0.582 . . . . 10.97 110.436 178.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -115.03 93.3 4.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.469 0.652 . . . . 11.6 110.132 175.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.464 ' SD ' ' HA3' ' A' ' 14' ' ' GLY . 13.0 tpt -158.81 129.65 6.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.325 -0.852 . . . . 10.21 109.929 -176.446 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -83.99 -160.13 0.43 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.674 -0.694 . . . . 6.41 110.399 -179.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -82.01 -44.93 16.01 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 121.005 -0.278 . . . . 9.52 110.663 -178.51 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -148.86 -16.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.521 -0.308 . . . . 8.89 111.805 179.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -90.73 10.66 2.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.317 0.579 . . . . 4.24 111.308 -178.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.464 ' HA3' ' SD ' ' A' ' 9' ' ' MET . . . -85.13 70.38 3.12 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.351 -0.928 . . . . 2.15 111.913 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -66.94 -33.81 76.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 1.81 110.754 -178.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.57 1.89 67.31 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.799 -0.637 . . . . 1.36 113.169 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -113.19 -37.25 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.146 0.424 . . . . 2.66 112.146 -175.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 p -77.48 158.86 29.75 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.688 -0.405 . . . . 1.26 110.861 -174.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.689 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.67 -58.27 3.15 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 124.151 0.907 . . . . 0.74 111.968 -177.171 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . . . -51.2 -41.01 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.991 0.737 . . . . 0.37 112.991 -177.37 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.1 m -73.12 -20.3 60.96 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.012 0.434 . . . . 0.64 111.127 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -89.21 -31.54 17.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 2.02 110.571 178.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 19' ' ' ALA . 19.5 t -76.64 144.25 11.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.85 110.46 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -108.34 -25.18 11.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.771 0.32 . . . . 1.46 111.772 -179.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.442 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 30.7 mt-10 -108.45 157.82 18.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.3 0.571 . . . . 1.88 111.391 -175.421 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 3.5 p-10 -69.96 142.63 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.662 -0.699 . . . . 1.08 110.172 175.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 p -64.58 -22.17 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.958 0.725 . . . . 0.99 112.958 -173.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.99 21.03 80.17 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 121.047 -0.597 . . . . 0.88 113.455 -177.17 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.07 15.25 4.22 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.377 0.88 . . . . 1.05 113.377 179.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.565 ' O ' HD13 ' A' ' 34' ' ' LEU . 14.3 m -109.76 141.51 42.28 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.858 -0.794 . . . . 0.78 108.858 174.129 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -50.08 -25.71 3.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.019 0.438 . . . . 1.64 110.682 173.046 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -57.64 3.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.81 -0.632 . . . . 1.07 111.868 177.319 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 31.8 p -69.6 -14.69 62.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.897 -0.321 . . . . 0.7 111.723 -175.499 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 30' ' ' CYS . 7.5 mp -74.66 -12.06 60.34 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.687 -0.233 . . . . 1.14 111.519 175.317 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 95.2 mt -76.94 -28.38 55.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.599 -0.273 . . . . 1.41 110.468 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 49.26 66.32 1.14 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.087 0.47 . . . . 3.64 111.574 177.136 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.74 122.09 78.14 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.104 -0.498 . . . . 4.23 110.216 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.58 41.79 1.2 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.76 2.306 . . . . 4.36 112.303 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -139.23 159.15 42.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 7.22 110.17 -178.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -109.51 31.73 5.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.933 -0.576 . . . . 6.75 110.763 -177.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.6 t -83.26 108.74 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.684 -0.689 . . . . 7.39 110.221 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.29 -9.95 14.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.983 0.42 . . . . 7.54 110.86 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.0 m -82.56 117.83 22.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.624 -0.509 . . . . 6.99 109.624 177.414 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.81 -52.43 4.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.907 -0.663 . . . . 4.95 111.96 -176.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -87.17 84.19 7.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.141 0.496 . . . . 4.43 110.431 179.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -84.7 41.45 0.85 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.939 -0.573 . . . . 4.83 109.906 177.385 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.6 m -89.25 79.48 7.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.746 -0.661 . . . . 2.93 110.144 -177.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -137.94 160.04 40.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.696 -0.684 . . . . 2.76 110.62 -179.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 42.2 t -53.11 110.96 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.067 -0.969 . . . . 0.57 110.425 176.244 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -64.1 -12.54 40.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.067 0.46 . . . . 1.91 111.671 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -86.99 -1.73 58.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.041 -0.527 . . . . 3.1 111.005 178.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' NH1' HG11 ' A' ' 23' ' ' VAL . 11.4 mmp_? -103.22 0.8 32.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.594 0.711 . . . . 1.79 109.403 176.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' O ' HD22 ' A' ' 55' ' ' LEU . 69.4 mtp180 -80.16 126.81 31.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.873 -1.058 . . . . 2.9 108.255 170.422 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.8 t -44.68 116.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.184 0.928 . . . . 0.69 112.029 -174.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 3.7 mm? -75.22 -23.39 57.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.602 -0.726 . . . . 1.28 110.635 -179.019 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -129.03 67.23 1.42 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.778 -0.646 . . . . 3.38 109.467 -177.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.32 94.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.562 -0.744 . . . . 2.03 109.797 174.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -120.7 112.16 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.717 -0.674 . . . . 3.59 110.857 -178.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -137.86 113.88 9.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.415 -0.811 . . . . 6.43 109.1 175.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -111.77 125.77 54.35 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.237 0.542 . . . . 8.03 110.869 -178.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.636 -0.711 . . . . 7.87 109.487 -179.562 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.77 -0.532 . . . . 17.98 111.77 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.86 48.61 2.0 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 123.298 2.666 . . . . 17.34 112.716 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.4 tp -82.6 69.05 9.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.576 0.703 . . . . 17.47 109.618 178.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.59 -122.74 7.43 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.132 -0.787 . . . . 15.28 111.132 -175.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 57.07 59.29 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.228 0.537 . . . . 13.77 110.304 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -85.49 -36.11 20.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.178 -0.464 . . . . 12.98 110.055 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 65.63 -77.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.253 -0.885 . . . . 10.97 111.933 178.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -148.17 160.44 42.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.231 -0.44 . . . . 11.6 109.914 -174.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.9 mtm -154.27 150.61 28.2 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.227 -0.657 . . . . 10.21 109.227 178.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -83.85 119.37 24.78 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.364 -0.38 . . . . 6.41 110.163 179.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -145.64 -52.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.095 -0.502 . . . . 9.52 110.462 -174.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -108.81 -25.06 10.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.789 0.328 . . . . 8.89 110.558 175.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -140.71 175.38 6.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 4.24 109.751 178.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.27 -154.84 24.6 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.219 -0.991 . . . . 2.15 113.254 178.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' C ' ' H ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -70.62 75.49 0.58 Allowed 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 123.822 0.849 . . . . 1.81 110.329 178.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 21' ' ' CYS . . . -59.79 39.27 0.03 OUTLIER Glycine 0 CA--C 1.526 0.739 0 O-C-N 124.901 1.375 . . . . 1.36 115.352 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 15' ' ' CYS . 35.1 mt-10 -114.43 -17.99 11.62 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.708 -0.479 . . . . 2.66 109.708 170.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.7 m -81.48 152.52 27.3 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.389 -0.597 . . . . 1.26 109.389 176.544 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.74 -64.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.33 0.394 . . . . 0.74 111.757 -179.329 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.35 -34.9 72.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.37 111.907 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HB3' ' HA2' ' A' ' 16' ' ' GLY . 61.7 m -73.81 -18.47 60.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.359 -0.382 . . . . 0.64 111.537 -179.382 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 78.6 mt-30 -83.28 -29.1 28.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.489 0.661 . . . . 2.02 109.486 174.467 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 19' ' ' ALA . 59.9 t -73.22 143.1 14.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 114.854 -1.066 . . . . 0.85 109.151 178.072 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.481 HG23 ' HG3' ' A' ' 25' ' ' GLU . 7.3 t -129.84 -9.56 4.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.995 0.426 . . . . 1.46 111.44 -177.072 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 24' ' ' THR . 47.2 mt-10 -124.73 178.39 5.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.779 0.323 . . . . 1.88 110.433 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.66 111.81 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.071 -0.513 . . . . 1.08 110.005 175.184 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -60.99 -22.73 64.78 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.102 -0.499 . . . . 0.99 112.035 -177.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.92 12.26 84.59 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.953 -0.642 . . . . 0.88 112.976 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.48 8.9 10.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.701 0.63 . . . . 1.05 112.701 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 12.4 m -107.57 140.59 40.33 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.312 -0.995 . . . . 0.78 108.312 173.249 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -51.14 -30.42 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.139 0.495 . . . . 1.64 110.256 175.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -76.72 -54.74 6.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.581 -0.736 . . . . 1.07 111.479 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 15.8 p -72.32 -4.76 31.71 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.953 -0.299 . . . . 0.7 111.739 -175.454 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 mt -77.35 -1.92 32.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.823 0.344 . . . . 1.14 111.336 177.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.445 ' HB3' ' HG ' ' A' ' 37' ' ' LEU . 92.1 mt -76.32 -49.24 17.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.41 . . . . 1.41 110.088 177.309 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 50.68 51.53 16.74 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.307 0.575 . . . . 3.64 110.622 176.222 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 35' ' ' LEU . 32.2 mt -81.94 121.84 79.46 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 4.23 111.247 -172.463 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 14.0 Cg_exo -68.79 -58.75 0.11 Allowed 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 123.001 2.467 . . . . 4.36 111.203 173.316 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -152.81 22.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.488 0.661 . . . . 7.22 109.404 176.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' O ' HD13 ' A' ' 37' ' ' LEU . 17.2 t70 -91.55 109.41 20.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.581 -0.736 . . . . 6.75 110.005 -178.732 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 m -120.95 106.06 17.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 7.39 111.554 -178.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.96 -32.77 74.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.775 -0.648 . . . . 7.54 110.019 176.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.1 t -143.95 -47.14 0.27 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.442 -0.799 . . . . 6.99 109.301 175.186 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.19 169.4 36.75 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.348 -0.701 . . . . 4.95 111.348 178.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.57 94.41 6.38 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.469 -0.567 . . . . 4.43 109.469 179.019 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -152.46 92.6 1.7 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.351 0.596 . . . . 4.83 109.473 176.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.9 p -138.78 86.66 2.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.426 -0.806 . . . . 2.93 110.234 -175.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -89.53 112.61 23.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.483 0.659 . . . . 2.76 111.743 -175.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 33.8 t -54.58 123.89 14.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.982 -1.008 . . . . 0.57 109.894 171.452 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.98 -15.34 63.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.028 0.442 . . . . 1.91 110.866 -178.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -96.29 29.59 2.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.235 0.54 . . . . 3.1 109.866 176.525 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -119.01 -45.51 2.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.502 -0.772 . . . . 1.79 110.078 173.537 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 53' ' ' ARG . 13.8 ptm180 -77.14 140.5 40.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.47 -0.786 . . . . 2.9 109.924 176.211 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 57' ' ' ILE . 11.9 t -51.84 150.13 4.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.31 -0.859 . . . . 0.69 111.958 -176.43 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.62 -63.53 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.514 -0.767 . . . . 1.28 110.605 -177.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -101.81 -3.72 27.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.005 0.431 . . . . 3.38 110.89 -178.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.49 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 69.2 mt 55.45 71.85 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 115.095 -0.957 . . . . 2.03 110.549 -175.009 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 m -82.76 78.04 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.629 0.728 . . . . 3.59 111.226 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -74.61 -17.6 60.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.461 -0.791 . . . . 6.43 109.885 177.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 67.55 35.45 4.15 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 114.491 -1.232 . . . . 8.03 110.765 179.049 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 C--O 1.254 1.309 0 CA-C-O 118.216 -0.897 . . . . 7.87 110.0 178.143 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.963 -0.455 . . . . 17.98 111.963 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.45 146.5 89.65 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.853 2.369 . . . . 17.34 112.093 177.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.47 32.59 20.57 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.866 -0.606 . . . . 17.47 110.389 -178.184 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.67 -32.45 4.79 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.835 -0.698 . . . . 15.28 112.39 -178.349 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -131.9 43.11 3.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.25 0.548 . . . . 13.77 110.351 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -97.0 107.38 19.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.706 -0.679 . . . . 12.98 109.695 177.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -69.82 122.28 18.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 10.97 109.972 -179.683 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 4.8 mmp_? -108.52 -174.74 2.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.142 -0.481 . . . . 11.6 110.491 -178.202 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.5 ttt -158.38 127.92 5.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.139 -0.482 . . . . 10.21 110.046 -178.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 99.2 m-85 -78.23 87.27 4.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.027 -0.533 . . . . 6.41 109.732 177.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -85.8 22.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.527 -0.76 . . . . 9.52 110.553 -178.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -143.39 -132.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.553 -0.906 . . . . 8.89 108.553 177.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.2 t 56.88 35.09 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 121.928 0.87 . . . . 4.24 110.38 176.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.08 -42.69 1.45 Allowed Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.477 -0.783 . . . . 2.15 112.228 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 9.0 p -172.39 -32.64 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.002 0.371 . . . . 1.81 112.002 179.381 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 10' ' ' PHE . . . 80.02 -9.63 45.18 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 121.004 -0.617 . . . . 1.36 113.582 -178.037 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -105.16 -31.21 9.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.125 0.462 . . . . 2.66 111.939 -173.588 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 p -76.07 147.38 38.7 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.355 -0.538 . . . . 1.26 109.645 -177.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -45.53 -47.32 14.32 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.611 0.569 . . . . 0.74 111.235 -177.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.61 -35.66 61.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.651 -0.704 . . . . 0.37 112.682 -177.12 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.1 m -69.95 -29.78 66.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 0.64 111.297 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -96.55 -8.95 30.6 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.062 -0.517 . . . . 2.02 111.568 -177.174 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 19' ' ' ALA . 68.9 t -74.96 125.48 34.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.999 -0.371 . . . . 0.85 109.999 176.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -111.92 -14.19 13.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.934 0.397 . . . . 1.46 111.298 -178.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.54 153.78 24.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.198 -0.455 . . . . 1.88 110.649 -176.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -66.61 113.06 4.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.333 -0.988 . . . . 1.08 108.333 168.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 p -59.23 -23.27 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.735 -0.666 . . . . 0.99 112.654 -171.201 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.37 16.3 80.69 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.943 -0.646 . . . . 0.88 113.295 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.39 31.62 3.44 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.661 0.615 . . . . 1.05 112.661 178.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.556 ' O ' HD13 ' A' ' 34' ' ' LEU . 27.0 m -122.22 141.97 50.92 Favored 'General case' 0 CA--C 1.515 -0.365 0 N-CA-C 108.669 -0.863 . . . . 0.78 108.669 170.088 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.485 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 24.2 t -51.51 -24.3 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.02 0.438 . . . . 1.64 110.389 173.114 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -56.91 3.75 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.724 -0.671 . . . . 1.07 112.244 178.452 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 21.6 p -72.37 -6.03 40.52 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.935 0.346 . . . . 0.7 111.935 -175.704 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 30' ' ' CYS . 6.6 mp -79.44 -27.91 41.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.28 0.562 . . . . 1.14 110.028 171.091 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 31' ' ' SER . 71.3 mt -81.57 -47.89 12.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.715 -0.675 . . . . 1.41 110.404 179.507 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 58.84 94.46 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.437 0.637 . . . . 3.64 111.276 -179.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.1 mt -80.37 131.03 63.11 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.614 -0.721 . . . . 4.23 110.468 -177.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.75 142.82 40.31 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.532 2.155 . . . . 4.36 111.819 179.141 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.1 m80 62.12 35.98 15.43 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.383 0.611 . . . . 7.22 110.473 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 12.5 p-10 -76.83 -5.43 48.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.188 -0.914 . . . . 6.75 110.583 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.46 139.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.418 -0.81 . . . . 7.39 110.042 176.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 68.2 44.92 1.33 Allowed 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.704 0.627 . . . . 7.54 110.872 -178.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 t 60.81 54.22 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.358 -0.837 . . . . 6.99 111.27 177.332 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 45' ' ' LEU . . . -78.89 99.83 1.69 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.483 -0.865 . . . . 4.95 111.248 175.404 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 4.6 mm? 69.35 137.12 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.201 0.524 . . . . 4.43 110.884 -175.183 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -82.65 58.55 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.8 0.81 . . . . 4.83 110.035 176.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.9 m -146.3 98.34 3.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.792 -1.094 . . . . 2.93 109.063 179.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -142.6 171.96 13.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.394 -0.366 . . . . 2.76 110.564 -175.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 54.0 t -49.8 126.17 13.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.143 -0.48 . . . . 0.57 110.239 176.33 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 40.2 mt-10 -69.23 1.49 3.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 1.91 111.57 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 51' ' ' ARG . 40.9 mmt-85 -104.4 15.41 28.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.073 0.463 . . . . 3.1 110.037 173.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.543 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -116.34 -17.36 10.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.446 0.641 . . . . 1.79 110.095 174.655 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 16.2 ptm180 -85.71 119.27 25.86 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.938 -1.028 . . . . 2.9 109.779 176.108 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 45.3 t -53.24 117.44 3.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.063 0.459 . . . . 0.69 110.993 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.33 -2.17 48.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 1.28 111.163 -178.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 29.5 mtp180 -144.46 69.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 3.38 109.508 178.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.0 mt -69.43 80.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.215 0.531 . . . . 2.03 110.423 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.84 -4.01 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.992 -0.549 . . . . 3.59 110.986 -178.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -93.64 -55.95 3.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.563 -0.744 . . . . 6.43 109.96 174.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -91.81 170.81 9.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.694 . . . . 8.03 110.174 -178.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.838 -0.601 . . . . 7.87 110.593 -179.213 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.791 -0.524 . . . . 17.98 111.791 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -80.99 50.74 3.67 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.767 2.311 . . . . 17.34 112.048 179.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 tp -69.97 110.83 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 17.47 110.302 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.16 -107.89 0.66 Allowed Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.737 -0.665 . . . . 15.28 111.855 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 m 69.5 -62.07 0.42 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.297 0.639 . . . . 13.77 111.357 -178.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -84.73 97.15 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 12.98 109.984 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -81.22 -11.22 59.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.766 -0.652 . . . . 10.97 110.442 -179.54 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -88.95 16.22 7.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.915 -0.584 . . . . 11.6 110.374 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.3 ttt -76.04 -41.47 50.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.592 -0.731 . . . . 10.21 109.199 175.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.525 ' HA ' ' H ' ' A' ' 14' ' ' GLY . 90.2 m-85 -87.68 73.24 9.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.38 -0.827 . . . . 6.41 110.664 179.097 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -82.92 -29.92 28.8 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.066 -0.716 . . . . 9.52 109.066 176.263 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -146.85 50.81 1.11 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.844 -1.071 . . . . 8.89 108.493 175.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.803 HG11 HG23 ' A' ' 57' ' ' ILE . 19.9 t 59.93 53.27 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 114.574 -1.194 . . . . 4.24 110.5 -176.229 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.525 ' H ' ' HA ' ' A' ' 10' ' ' PHE . . . -76.91 76.83 1.55 Allowed Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.541 -0.754 . . . . 2.15 112.279 178.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.58 -18.47 62.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.067 0.395 . . . . 1.81 112.067 178.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.592 ' H ' ' HB3' ' A' ' 21' ' ' CYS . . . 78.49 -5.26 56.96 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.993 -0.623 . . . . 1.36 113.692 -177.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -109.75 -31.05 7.59 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 117.398 0.599 . . . . 2.66 112.314 -175.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.2 m -75.66 157.66 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.337 -0.616 . . . . 1.26 109.337 -179.831 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -44.87 -65.82 0.48 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.293 0.371 . . . . 0.74 111.846 -179.227 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.24 68.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.156 0.503 . . . . 0.37 111.761 178.094 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.592 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 49.2 m -77.09 -17.78 58.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.162 -0.472 . . . . 0.64 111.895 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 18' ' ' CYS . 77.4 mt-30 -87.58 -23.9 24.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.303 0.573 . . . . 2.02 109.606 174.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 19' ' ' ALA . 89.2 t -71.2 139.93 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.082 -0.963 . . . . 0.85 109.5 177.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 p -108.75 -34.97 6.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.138 0.422 . . . . 1.46 112.138 -174.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -116.79 172.76 7.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.675 -0.239 . . . . 1.88 110.403 -177.352 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 1.7 p30 -68.32 134.31 50.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.307 0.575 . . . . 1.08 109.876 177.659 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 p -63.63 -24.6 67.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.479 -0.782 . . . . 0.99 112.771 -174.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.1 20.22 77.73 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 120.9 -0.667 . . . . 0.88 113.318 -177.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.33 7.69 4.59 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.427 0.899 . . . . 1.05 113.427 179.337 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.568 ' HB2' ' H ' ' A' ' 33' ' ' CYS . 12.5 m -103.77 132.56 49.91 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.048 -1.093 . . . . 0.78 108.048 174.658 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -51.68 -22.95 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.301 0.572 . . . . 1.64 110.619 174.174 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -78.0 -52.46 8.76 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.351 -0.84 . . . . 1.07 111.407 175.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.568 ' H ' ' HB2' ' A' ' 30' ' ' CYS . 20.6 p -73.52 -12.54 60.81 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.256 0.465 . . . . 0.7 112.256 -176.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 30' ' ' CYS . 8.3 mp -75.86 -7.23 54.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 1.14 110.93 175.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.8 mt -79.26 -55.4 5.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.369 -0.378 . . . . 1.41 110.191 177.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 53.66 68.85 0.78 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.171 0.51 . . . . 3.64 110.997 -178.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.22 153.87 74.49 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.593 -0.73 . . . . 4.23 110.246 -176.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.0 94.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.314 2.676 . . . . 4.36 113.093 -176.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.2 m80 65.59 83.14 0.17 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.471 -0.786 . . . . 7.22 111.414 178.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.652 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 15.4 t70 -66.68 126.05 27.74 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.296 -0.631 . . . . 6.75 109.296 175.212 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.85 177.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.681 0.277 . . . . 7.39 111.631 -175.597 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.44 -34.03 17.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 7.54 111.163 -178.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.2 p -65.08 -64.8 0.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.006 -0.543 . . . . 6.99 110.812 -178.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.12 -159.67 11.55 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.916 -0.659 . . . . 4.95 111.559 176.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 68.5 147.61 0.06 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.639 0.733 . . . . 4.43 111.595 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -151.08 69.07 0.95 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.511 0.672 . . . . 4.83 110.389 178.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 40' ' ' ASP . 21.0 p -116.55 32.84 5.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.51 -0.922 . . . . 2.93 108.51 170.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -84.37 117.14 23.42 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.284 -1.325 . . . . 2.76 111.281 -172.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 49.9 t -53.49 122.38 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.805 . . . . 0.57 110.864 176.069 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 40.6 mt-10 -65.27 -19.88 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.86 -0.609 . . . . 1.91 111.092 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.33 22.39 5.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.149 0.499 . . . . 3.1 110.247 176.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -123.44 -15.56 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 1.79 110.661 174.433 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.0 ptp180 -83.78 136.69 34.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.562 -0.745 . . . . 2.9 109.726 178.649 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.51 120.23 5.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 0.69 111.284 178.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.1 mt -78.43 -22.29 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.585 -0.734 . . . . 1.28 110.782 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -147.39 77.79 1.45 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.337 -0.616 . . . . 3.38 109.337 -173.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.803 HG23 HG11 ' A' ' 13' ' ' VAL . 59.9 mt -59.51 97.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.818 -0.628 . . . . 2.03 110.884 179.116 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.6 m -113.18 168.29 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.789 -0.641 . . . . 3.59 110.68 -179.401 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 49.79 61.75 3.0 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 124.068 0.855 . . . . 6.43 110.918 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HG2' HG22 ' A' ' 57' ' ' ILE . 90.4 mtt180 -86.75 154.45 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.67 -0.695 . . . . 8.03 110.719 -175.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.613 -0.708 . . . . 7.87 109.666 176.818 . . . . . . . . 0 0 . 1 stop_ save_