data_2fc6_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 2fc6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.458 ' N ' HD13 ' A' ' 22' ' ' ILE . 2.7 mp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.918 0.389 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.4 t -65.63 175.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -105.05 -29.46 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -85.18 -67.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.9 t80 -55.74 -27.03 48.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -50.92 -64.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.74 -60.23 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -47.65 -53.16 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.483 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.51 -26.21 9.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.502 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -109.78 159.12 17.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.28 135.04 11.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -4.18 13.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.8 mt -106.99 -12.11 15.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.45 -144.8 45.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -26.05 27.83 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.9 -25.59 66.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.2 t -40.99 135.01 1.7 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -21.29 33.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -92.45 149.63 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -74.81 153.25 38.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 52.5 m170 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 23' ' ' CYS . 2.5 mp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.902 0.382 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.455 ' N ' HG22 ' A' ' 22' ' ' ILE . 4.0 t -65.43 174.13 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -105.29 -22.05 13.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -91.17 -68.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.3 t80 -55.58 -24.87 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -53.35 -64.4 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.7 -59.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -49.89 -49.08 50.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.421 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 110.22 -26.26 14.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -109.85 159.41 17.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.12 135.03 11.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.03 6.35 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.8 mt -111.94 -10.38 13.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.4 -146.24 40.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -23.32 31.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -69.07 -24.28 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -42.94 135.12 2.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -19.54 36.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -90.16 164.17 14.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -90.02 146.92 24.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 39.5 m170 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.2 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.6 179.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.75 -23.6 10.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -90.21 -68.01 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -55.63 -27.19 48.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.2 t -50.93 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.99 -58.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -50.47 -55.09 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.504 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 117.2 -27.71 7.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -107.4 158.3 17.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.28 135.15 11.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -1.74 9.02 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -108.99 -20.25 13.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.58 -143.11 43.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.72 23.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.307 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -65.01 -24.94 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.2 t -41.44 135.64 1.92 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -23.87 30.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -93.54 149.02 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -73.32 157.14 37.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 58.9 m170 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.442 HD11 ' N ' ' A' ' 22' ' ' ILE . 2.3 mp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.867 0.365 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.53 178.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -109.05 -29.83 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -83.38 -71.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.2 t80 -51.57 -33.88 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.6 t -44.32 -64.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.28 -55.3 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -54.97 -45.73 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.536 ' O ' ' CD1' ' A' ' 26' ' ' PHE . . . 106.49 -29.95 10.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -103.77 157.43 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.0 t -146.22 135.32 11.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -1.35 8.35 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.6 mt -110.3 -12.38 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.32 -144.97 47.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.58 27.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.39 -24.69 66.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.4 135.6 2.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.11 25.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.29 170.93 14.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -96.61 151.39 19.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 56.1 m170 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.881 0.372 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.41 175.85 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -106.16 -27.53 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -86.3 -66.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.565 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.5 t80 -55.99 -26.75 49.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 t -51.5 -64.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.17 -60.42 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -47.95 -52.86 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.06 -26.51 9.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -109.43 158.87 17.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.4 t -146.28 135.04 11.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -5.85 17.19 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.375 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -105.56 -20.03 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.21 -141.12 42.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -33.45 16.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -61.47 -25.97 67.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.5 t -41.03 134.78 1.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.95 37.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.617 2.211 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -97.16 153.28 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -79.42 153.51 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 45.5 m170 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.465 HD11 ' N ' ' A' ' 22' ' ' ILE . 2.6 mp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.9 t -64.2 173.47 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -105.57 -22.23 13.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -89.78 -69.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -55.03 -26.9 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -50.14 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.7 -58.04 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -49.52 -53.22 24.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.469 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.8 -27.51 8.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -108.67 158.64 17.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.25 134.98 11.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -1.01 7.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.7 mt -113.38 -18.19 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.39 -141.06 43.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -34.25 14.86 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -60.52 -25.72 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -41.85 134.51 2.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -8.97 24.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.252 . . . . 0.0 112.382 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -105.86 157.13 17.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.2 155.67 27.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 62.9 m170 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 23' ' ' CYS . 2.4 mp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.845 0.355 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.467 ' N ' HG21 ' A' ' 22' ' ' ILE . 1.9 t -66.07 172.23 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -104.56 -24.31 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -88.37 -69.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -54.71 -26.42 33.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -51.55 -64.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.6 -59.59 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -48.0 -54.3 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.945 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.34 -25.44 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -110.94 158.57 18.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.775 0.322 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.1 135.06 11.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -1.04 7.77 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 mt -110.85 -13.63 14.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.41 -142.84 47.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HG2' ' NE2' ' A' ' 37' ' ' GLN . 54.0 Cg_endo -69.74 -30.29 22.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' NE2' ' HG2' ' A' ' 36' ' ' PRO . 2.4 mp0 -63.43 -24.9 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.5 t -41.92 135.42 2.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -25.9 28.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.25 . . . . 0.0 112.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.67 153.86 20.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -77.17 159.15 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 58.4 m170 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 22' ' ' ILE . 3.4 mp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.858 0.361 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.24 176.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.12 -24.77 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -88.83 -68.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.5 t80 -55.0 -30.07 58.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 t -47.84 -64.59 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.01 -60.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -48.21 -50.03 30.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 111.63 -28.73 9.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -106.86 159.28 16.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.3 t -146.35 135.24 11.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.79 7.43 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.3 mt -112.94 -22.93 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.48 -138.27 33.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -38.55 7.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -58.56 -26.31 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.5 t -38.47 134.91 0.94 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.669 0.747 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -13.51 34.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.384 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -98.91 173.56 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -100.18 145.87 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 52.4 m170 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.0 mp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' N ' HG21 ' A' ' 22' ' ' ILE . 3.2 t -60.1 174.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.11 -23.65 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -89.73 -68.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.3 t80 -56.47 -26.96 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 t -50.02 -64.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.19 -60.69 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -47.23 -51.53 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 112.73 -26.75 10.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -109.43 158.77 17.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 44.7 t -146.26 134.95 11.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 0.25 5.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.6 mt -113.14 -15.05 12.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.92 -141.87 48.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -31.89 19.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -62.58 -25.25 67.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -40.96 134.98 1.7 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.97 37.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -98.4 163.01 12.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -86.42 156.38 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 57.9 m170 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.465 HD11 ' N ' ' A' ' 22' ' ' ILE . 3.1 mp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.85 0.357 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.462 ' N ' HG23 ' A' ' 22' ' ' ILE . 3.5 t -63.38 175.55 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -105.9 -24.86 12.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -88.76 -70.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 1.8 t80 -53.82 -26.17 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -51.65 -64.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.47 -56.45 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -52.75 -51.01 62.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.462 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 112.6 -29.07 8.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -106.83 158.38 17.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.341 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.8 t -146.27 134.81 10.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.657 0.742 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.54 16.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -106.09 -16.03 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.22 -142.25 47.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -31.65 19.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -62.86 -22.84 66.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.6 t -45.89 135.12 6.56 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.642 0.734 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -19.86 35.48 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 22' ' ' ILE . 37.7 mm-40 -87.59 171.28 10.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -100.87 141.13 34.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 54.5 m170 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.8 t -63.25 174.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -107.88 -24.11 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -88.68 -67.73 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.9 t80 -56.75 -25.32 54.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 t -51.56 -64.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.7 -56.97 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -52.44 -51.63 58.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.532 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 113.91 -29.98 7.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -104.27 160.16 15.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 25' ' ' ASN . 50.6 t -146.34 135.4 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -0.32 6.77 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.4 mt -114.33 -6.0 12.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.82 -142.29 30.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.49 18.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -60.38 -24.01 64.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.9 t -45.33 134.81 5.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -32.12 19.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -81.09 155.08 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -78.97 162.88 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 46.2 m170 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 23' ' ' CYS . 2.5 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.869 0.366 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.468 ' N ' HG22 ' A' ' 22' ' ' ILE . 4.5 t -64.6 171.25 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.49 -23.49 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -89.98 -69.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.574 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.6 t80 -54.2 -29.56 46.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 t -48.69 -64.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.42 -55.49 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -55.92 -44.14 78.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.553 ' O ' ' CG ' ' A' ' 26' ' ' PHE . . . 105.33 -31.01 8.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -102.18 158.66 16.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.4 t -146.27 135.38 11.29 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.29 5.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.1 mt -112.06 -26.3 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.48 -139.97 28.63 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -35.93 11.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -61.21 -26.02 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 t -38.94 135.41 1.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -29.39 24.18 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.661 2.24 . . . . 0.0 112.397 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -87.24 163.85 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -84.98 163.5 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 59.2 m170 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.85 0.357 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.7 t -67.07 172.61 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -102.52 -24.14 13.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -86.68 -72.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 5.7 t80 -51.27 -26.36 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 t -51.7 -64.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.26 -61.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -46.47 -45.14 18.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.15 -16.41 53.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -124.26 155.24 38.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.5 t -141.16 134.07 14.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.32 18.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -104.44 -15.77 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.21 -141.83 48.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -31.97 19.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.18 -24.16 67.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 41.9 t -43.64 135.13 3.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.647 0.737 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.74 12.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -113.95 155.03 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -79.97 157.47 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 42.2 m170 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 23' ' ' CYS . 2.3 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.458 ' N ' HG21 ' A' ' 22' ' ' ILE . 2.8 t -63.94 176.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -105.7 -28.58 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -84.24 -70.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.3 t80 -53.31 -29.51 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -47.94 -64.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.11 -57.02 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -50.8 -52.51 40.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.43 -29.21 7.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -106.66 158.6 16.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.26 135.18 11.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.611 0.72 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.0 11.14 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -110.23 -22.76 11.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.44 -139.38 35.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.5 10.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -59.73 -25.99 65.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.8 t -40.25 133.38 1.55 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.701 0.762 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.68 33.38 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.266 . . . . 0.0 112.385 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -102.41 151.19 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -78.49 148.04 33.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 41.9 m170 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 23' ' ' CYS . 2.1 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.856 0.36 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.442 ' N ' HG22 ' A' ' 22' ' ' ILE . 2.4 t -61.42 175.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -106.47 -29.81 9.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -81.58 -71.15 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 30' ' ' GLY . 1.9 t80 -52.44 -30.46 29.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -47.16 -64.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.2 -54.83 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -54.03 -50.77 65.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.579 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 113.13 -32.25 6.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -102.52 158.75 16.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.6 t -146.34 135.78 11.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.85 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 mt -84.95 -21.24 29.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' HA3' ' HD2' ' A' ' 36' ' ' PRO . . . 65.77 -138.8 38.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.418 ' HD2' ' HA3' ' A' ' 35' ' ' GLY . 53.4 Cg_endo -69.74 -38.68 7.51 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -56.81 -26.25 57.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.8 t -43.47 134.42 3.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -36.94 9.77 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -71.25 169.41 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -99.53 146.47 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.478 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 39.2 m170 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.5 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.896 0.379 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.465 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 4.6 t -64.35 172.87 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -104.45 -26.76 12.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -87.47 -71.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.5 t80 -52.81 -26.5 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -51.85 -64.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.17 -61.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -45.72 -53.1 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.4 6.05 31.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -145.43 155.62 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.343 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.3 t -146.33 134.46 10.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -5.28 15.87 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.7 mt -98.65 -24.38 15.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 36' ' ' PRO . . . 65.89 -136.88 35.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 35' ' ' GLY . 53.7 Cg_endo -69.8 -39.48 6.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -56.9 -25.31 56.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.9 t -42.08 135.02 2.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -32.23 18.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.305 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 23' ' ' CYS . 14.6 mt-30 -91.91 149.53 21.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -70.97 164.61 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.557 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 45.0 m170 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 23' ' ' CYS . 2.1 mp . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.921 0.391 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' N ' HG23 ' A' ' 22' ' ' ILE . 3.7 t -61.34 172.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -107.16 -23.61 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -89.87 -69.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -54.73 -26.2 32.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t -51.91 -64.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.19 -58.4 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.067 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -50.67 -53.36 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.492 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 115.18 -28.11 8.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -107.0 158.98 16.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.9 t -146.35 135.13 11.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.49 6.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.9 mt -112.69 -18.95 12.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.39 -138.01 42.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.3 8.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -57.35 -24.64 56.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.6 t -43.78 134.71 3.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.655 0.741 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.06 24.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.83 154.52 21.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -79.91 160.05 26.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 49.7 m170 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 23' ' ' CYS . 2.7 mp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.468 ' N ' HG21 ' A' ' 22' ' ' ILE . 1.8 t -64.16 177.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.85 -37.06 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.85 -66.36 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD2' ' ND1' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -54.19 -36.74 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 t -41.99 -63.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.7 -62.08 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -49.99 -38.31 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.607 ' O ' ' CE1' ' A' ' 26' ' ' PHE . . . 96.28 -21.6 44.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -106.88 156.12 19.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.8 t -146.33 135.57 11.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 0.63 5.4 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.8 mt -113.89 -16.81 12.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.19 -141.62 43.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -35.47 12.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -59.52 -25.67 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.3 t -41.8 135.89 2.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.646 0.736 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -27.36 26.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -87.27 151.44 23.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -77.48 162.16 27.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' A' ' 26' ' ' PHE . 58.3 m170 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.52 176.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.05 -28.62 9.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -82.91 -70.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.4 t80 -54.84 -28.19 47.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -49.99 -63.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.83 -61.4 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -49.88 -50.08 47.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.55 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 112.25 -28.15 9.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.532 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -106.02 156.65 18.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 45.8 t -143.54 135.19 12.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -2.1 9.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.2 mt -110.89 -15.65 13.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.84 -141.4 47.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -33.1 17.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.626 2.217 . . . . 0.0 112.383 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -61.41 -23.87 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.3 t -43.77 135.57 3.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -26.39 27.37 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -88.56 154.88 19.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -80.24 158.17 26.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.555 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 57.6 m170 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.468 ' N ' HD13 ' A' ' 22' ' ' ILE . 2.0 mp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.886 0.374 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 3.2 t -61.63 176.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.48 -30.73 8.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -83.44 -71.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.575 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.7 t80 -52.49 -33.1 43.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 t -45.25 -64.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.04 -55.18 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -55.87 -42.66 76.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 102.94 -29.39 12.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 -105.09 156.81 17.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 44.4 t -146.3 135.01 11.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.98 31.94 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.73 2.286 . . . . 0.0 112.311 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.5 mt -95.54 -17.42 21.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.87 -142.49 47.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.66 23.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.317 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -64.33 -25.52 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.4 t -42.42 134.55 2.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -37.76 8.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.719 2.28 . . . . 0.0 112.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 23' ' ' CYS . 13.4 mt-30 -81.88 146.3 29.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -68.49 168.0 13.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 44.1 m170 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -74.11 147.6 42.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.4 p -160.66 123.01 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.53 -89.3 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 p -41.99 128.02 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -88.07 45.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.73 124.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.0 t -91.7 52.73 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.1 m -90.67 159.27 16.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 1.9 mm? -64.93 154.04 87.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 164.5 34.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' ALA . 53.8 Cg_endo -69.7 2.75 3.22 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' PRO . . . -34.05 -42.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.094 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 m -161.71 131.16 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -73.23 127.37 32.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -57.98 154.46 28.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.38 32.81 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.329 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -97.51 150.46 36.82 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.583 0.706 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' CG ' HD12 ' A' ' 22' ' ' ILE . 53.7 Cg_endo -69.79 158.35 57.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -88.2 -35.43 17.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 t -174.2 121.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.458 ' N ' HD13 ' A' ' 22' ' ' ILE . 2.7 mp -87.24 147.85 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.4 t -65.63 175.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -105.05 -29.46 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -85.18 -67.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.9 t80 -55.74 -27.03 48.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -50.92 -64.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.74 -60.23 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -47.65 -53.16 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.483 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.51 -26.21 9.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.502 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -109.78 159.12 17.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.28 135.04 11.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -4.18 13.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.8 mt -106.99 -12.11 15.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.45 -144.8 45.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -26.05 27.83 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.9 -25.59 66.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.2 t -40.99 135.01 1.7 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -21.29 33.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -92.45 149.63 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -74.81 153.25 38.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 52.5 m170 -123.6 84.77 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -104.64 118.62 37.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.461 HD13 ' CD1' ' A' ' 26' ' ' PHE . 12.6 mm -95.02 100.3 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -84.5 -60.67 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.26 70.08 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 171.93 13.53 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.396 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.2 p -120.61 155.33 33.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -111.48 130.96 55.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.47 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 t -84.22 123.13 29.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 110.827 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -114.32 122.41 46.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.4 -94.47 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -135.79 116.77 14.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -119.23 -47.7 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.25 82.33 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.434 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.7 m -124.63 -58.73 1.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.6 p -167.88 175.36 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.33 141.38 9.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.596 0.713 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.12 58.1 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.366 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.69 33.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.49 44.65 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -88.05 156.28 19.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -109.17 157.49 18.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.26 144.44 53.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.61 18.55 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 19' ' ' PRO . 73.8 t60 -89.86 138.57 27.76 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.713 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 53.8 Cg_endo -69.75 176.42 6.78 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.364 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -95.12 -24.35 16.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.436 ' C ' ' OE1' ' A' ' 40' ' ' GLN . 6.0 m -174.11 131.98 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 23' ' ' CYS . 2.5 mp -95.12 145.94 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.455 ' N ' HG22 ' A' ' 22' ' ' ILE . 4.0 t -65.43 174.13 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -105.29 -22.05 13.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -91.17 -68.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.3 t80 -55.58 -24.87 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -53.35 -64.4 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.7 -59.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -49.89 -49.08 50.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.421 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 110.22 -26.26 14.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -109.85 159.41 17.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.12 135.03 11.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.03 6.35 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.8 mt -111.94 -10.38 13.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.4 -146.24 40.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -23.32 31.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -69.07 -24.28 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -42.94 135.12 2.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -19.54 36.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' OE1' ' C ' ' A' ' 21' ' ' SER . 23.0 mm-40 -90.16 164.17 14.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -90.02 146.92 24.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 39.5 m170 -120.25 75.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.63 114.03 27.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.6 mt -111.24 97.71 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -107.35 167.25 10.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.08 -94.93 0.9 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.52 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.365 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.3 p -90.25 89.42 7.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -108.28 152.05 25.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.498 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -144.29 154.97 43.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.844 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -84.25 163.97 19.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.4 143.25 11.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 p -46.73 -53.64 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.7 m -76.39 107.58 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.15 -44.55 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -97.89 -41.47 8.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.8 m -60.64 149.42 35.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -39.22 149.92 0.24 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.668 0.747 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 161.48 45.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.632 2.221 . . . . 0.0 112.377 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 175.31 8.3 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.725 2.283 . . . . 0.0 112.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.79 124.45 46.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.0 p -122.44 -48.07 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -112.05 166.31 11.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -107.7 144.03 28.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -4.28 13.69 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.626 2.217 . . . . 0.0 112.383 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -69.3 157.44 89.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 175.45 8.13 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.683 2.256 . . . . 0.0 112.307 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 21' ' ' SER . 9.6 t -82.84 156.66 23.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 20' ' ' THR . 17.4 m -36.74 125.98 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.2 mp -79.69 144.49 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.6 179.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.75 -23.6 10.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -90.21 -68.01 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -55.63 -27.19 48.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.2 t -50.93 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.99 -58.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -50.47 -55.09 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.504 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 117.2 -27.71 7.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -107.4 158.3 17.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.28 135.15 11.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -1.74 9.02 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -108.99 -20.25 13.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.58 -143.11 43.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.72 23.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.307 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -65.01 -24.94 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.2 t -41.44 135.64 1.92 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -23.87 30.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -93.54 149.02 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -73.32 157.14 37.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 58.9 m170 -122.43 86.31 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -101.89 125.74 48.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 45' ' ' SER . 23.9 mm -95.29 96.65 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 44' ' ' ILE . 70.1 m -34.9 151.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.15 66.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' SER . 53.9 Cg_endo -69.83 -8.8 24.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' SER . 78.2 p -56.37 83.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' PRO . 94.2 p 34.63 47.65 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -102.69 -52.68 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 110.903 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -132.76 115.3 15.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.19 85.86 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m 60.53 45.65 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.38 . . . . 0.0 110.841 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -94.93 151.17 19.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.55 -170.51 20.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -103.39 127.49 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.4 p -98.6 127.99 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.28 151.48 87.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.6 0.714 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.75 61.18 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.373 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 111.35 2.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.4 40.81 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 m -83.26 39.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -130.1 173.03 11.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 29.6 ttm-85 -153.79 139.62 12.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.571 0.7 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 53.4 Cg_endo -69.79 113.11 3.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -102.5 143.81 27.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.87 15.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' SER . 4.0 t -63.83 151.38 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' THR . 16.7 m -35.58 127.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.442 HD11 ' N ' ' A' ' 22' ' ' ILE . 2.3 mp -84.74 143.37 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.53 178.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -109.05 -29.83 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -83.38 -71.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.2 t80 -51.57 -33.88 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.6 t -44.32 -64.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.28 -55.3 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -54.97 -45.73 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.536 ' O ' ' CD1' ' A' ' 26' ' ' PHE . . . 106.49 -29.95 10.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -103.77 157.43 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.0 t -146.22 135.32 11.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -1.35 8.35 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.6 mt -110.3 -12.38 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.32 -144.97 47.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.58 27.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.39 -24.69 66.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.4 135.6 2.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.11 25.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.29 170.93 14.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -96.61 151.39 19.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 56.1 m170 -118.72 70.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.21 117.09 34.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.431 HD13 ' CD1' ' A' ' 26' ' ' PHE . 5.0 mp -103.52 107.39 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.4 p -133.45 -175.0 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.21 -157.67 12.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 135.14 29.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.9 p -121.24 120.89 36.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.5 p -113.53 157.48 21.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.499 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -50.36 124.38 10.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -118.76 114.08 22.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.88 -90.74 0.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p -50.73 136.17 22.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 m -119.42 123.34 43.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.12 60.95 2.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.4 m -145.73 108.69 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -85.95 147.13 26.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -168.01 143.98 3.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.642 0.734 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 167.16 25.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.27 . . . . 0.0 112.356 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.14 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.46 120.66 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.517 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 54.6 m -79.8 69.56 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.134 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 14' ' ' THR . 15.8 p80 40.58 27.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 20' ' ' THR . 79.8 mtp180 -137.31 142.74 38.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.64 2.226 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -121.65 146.68 46.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.826 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -33.98 15.56 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.442 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 37.1 p -39.76 160.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -105.02 133.52 49.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.49 141.98 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.41 175.85 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -106.16 -27.53 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -86.3 -66.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.565 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.5 t80 -55.99 -26.75 49.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 t -51.5 -64.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.17 -60.42 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -47.95 -52.86 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.06 -26.51 9.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -109.43 158.87 17.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.4 t -146.28 135.04 11.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -5.85 17.19 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.375 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -105.56 -20.03 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.21 -141.12 42.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -33.45 16.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -61.47 -25.97 67.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.5 t -41.03 134.78 1.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.95 37.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.617 2.211 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -97.16 153.28 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -79.42 153.51 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 45.5 m170 -121.99 79.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 43' ' ' ASP . 19.4 t0 -110.4 114.8 28.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' A' ' 26' ' ' PHE . 47.8 mt -114.02 96.31 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.7 p -58.73 109.91 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.46 -160.72 18.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 87.99 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.276 . . . . 0.0 112.332 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -166.92 164.09 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.1 p -49.04 146.33 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.477 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -99.86 -61.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -63.79 -48.4 77.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.5 70.64 2.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -118.19 41.46 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 p -125.99 166.82 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.1 153.77 17.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m -111.92 47.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.2 m 62.22 50.94 3.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.31 148.8 62.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.614 0.721 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.58 65.3 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 113.67 3.45 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.743 2.295 . . . . 0.0 112.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.45 161.42 15.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.8 p -131.23 91.72 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -71.89 -40.33 68.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -146.85 150.86 40.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 0.77 5.2 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -113.1 143.34 28.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.545 0.688 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 171.6 14.13 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.254 . . . . 0.0 112.376 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -59.88 150.62 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.8 t -46.2 120.81 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.465 HD11 ' N ' ' A' ' 22' ' ' ILE . 2.6 mp -85.74 147.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.418 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.9 t -64.2 173.47 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -105.57 -22.23 13.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -89.78 -69.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -55.03 -26.9 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -50.14 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.7 -58.04 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -49.52 -53.22 24.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.469 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.8 -27.51 8.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -108.67 158.64 17.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.25 134.98 11.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -1.01 7.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.7 mt -113.38 -18.19 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.39 -141.06 43.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -34.25 14.86 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -60.52 -25.72 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -41.85 134.51 2.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -8.97 24.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.252 . . . . 0.0 112.382 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -105.86 157.13 17.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.2 155.67 27.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 62.9 m170 -127.04 80.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -99.02 115.94 30.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.496 HD12 ' CD1' ' A' ' 26' ' ' PHE . 30.6 mm -96.47 97.12 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 t -90.67 104.68 17.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.72 -171.43 31.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 168.2 22.33 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.8 p -125.4 -44.33 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.2 t -88.25 154.14 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.527 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -105.65 176.38 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -56.36 123.68 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.84 71.02 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -82.26 120.24 25.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -107.45 81.81 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.53 39.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.5 m -52.39 124.98 14.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.2 t -102.04 122.68 44.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.33 150.72 97.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.57 18.56 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.686 2.258 . . . . 0.0 112.388 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 165.88 29.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.13 -57.26 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 t -101.28 126.81 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -105.94 74.43 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -133.51 145.87 58.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.629 0.728 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.87 24.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -111.64 135.01 21.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.734 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 162.59 41.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 t -127.98 -31.79 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.5 t -169.54 111.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 23' ' ' CYS . 2.4 mp -72.13 144.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.467 ' N ' HG21 ' A' ' 22' ' ' ILE . 1.9 t -66.07 172.23 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -104.56 -24.31 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -88.37 -69.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -54.71 -26.42 33.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -51.55 -64.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.6 -59.59 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -48.0 -54.3 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.945 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.34 -25.44 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -110.94 158.57 18.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.775 0.322 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.1 135.06 11.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -1.04 7.77 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 mt -110.85 -13.63 14.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.41 -142.84 47.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HG2' ' NE2' ' A' ' 37' ' ' GLN . 54.0 Cg_endo -69.74 -30.29 22.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' NE2' ' HG2' ' A' ' 36' ' ' PRO . 2.4 mp0 -63.43 -24.9 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.5 t -41.92 135.42 2.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -25.9 28.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.25 . . . . 0.0 112.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.67 153.86 20.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -77.17 159.15 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 58.4 m170 -125.59 77.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -88.31 124.9 34.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.427 HD12 ' CE1' ' A' ' 26' ' ' PHE . 30.6 mm -105.86 93.66 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.9 t -63.58 129.99 42.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -92.44 -157.22 33.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -172.2 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 2.244 . . . . 0.0 112.335 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 t 62.77 43.42 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 56.3 p -44.03 -58.61 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.465 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -114.83 145.52 42.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -114.7 143.33 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.61 -89.93 0.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -128.99 42.92 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -77.51 -53.49 7.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.56 -143.65 9.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.8 99.97 10.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.5 m -144.45 153.18 41.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 10' ' ' LEU . 4.2 mm? -81.25 149.97 66.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.628 0.727 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 147.78 63.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.334 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -18.01 37.28 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.722 2.282 . . . . 0.0 112.361 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.25 138.71 9.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.7 m -118.7 -60.49 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.444 ' CD2' ' H ' ' A' ' 15' ' ' HIS . 5.0 p80 -68.2 111.43 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -49.89 142.87 12.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 140.99 44.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -105.89 142.04 23.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 109.53 2.33 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -58.37 -36.58 73.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -159.98 128.43 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 22' ' ' ILE . 3.4 mp -92.53 143.99 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.24 176.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.12 -24.77 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -88.83 -68.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.5 t80 -55.0 -30.07 58.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 t -47.84 -64.59 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.01 -60.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -48.21 -50.03 30.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 111.63 -28.73 9.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -106.86 159.28 16.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.3 t -146.35 135.24 11.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.79 7.43 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.3 mt -112.94 -22.93 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.48 -138.27 33.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -38.55 7.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -58.56 -26.31 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.5 t -38.47 134.91 0.94 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.669 0.747 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -13.51 34.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.384 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -98.91 173.56 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -100.18 145.87 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 52.4 m170 -116.58 75.5 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -94.38 110.49 22.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.7 mm -83.86 94.07 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.5 p -70.39 136.91 50.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.5 155.32 26.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -14.9 36.99 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.4 p -40.0 112.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.5 p -65.79 -41.13 92.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.494 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -169.83 164.63 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -87.66 -47.54 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.12 88.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -53.33 109.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 p -60.69 -43.39 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.01 123.75 5.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.3 t -99.45 83.47 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.9 p -148.82 145.81 27.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -125.22 155.53 71.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.08 25.47 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.83 3.05 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 2.239 . . . . 0.0 112.314 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.56 91.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p -95.52 39.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -78.22 -51.84 9.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' NH2' ' HD2' ' A' ' 47' ' ' PRO . 10.8 ptt180 -164.03 150.9 10.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 110.05 2.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.397 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -71.46 150.83 93.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.71 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -172.8 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.313 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -104.55 -33.15 8.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.9 t -169.55 138.6 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.0 mp -95.3 137.17 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.461 ' N ' HG21 ' A' ' 22' ' ' ILE . 3.2 t -60.1 174.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.11 -23.65 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -89.73 -68.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.3 t80 -56.47 -26.96 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 t -50.02 -64.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.19 -60.69 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -47.23 -51.53 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 112.73 -26.75 10.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -109.43 158.77 17.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 44.7 t -146.26 134.95 11.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 0.25 5.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.6 mt -113.14 -15.05 12.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.92 -141.87 48.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -31.89 19.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -62.58 -25.25 67.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -40.96 134.98 1.7 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.97 37.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -98.4 163.01 12.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -86.42 156.38 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 57.9 m170 -125.5 78.46 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.836 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -104.87 114.53 28.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mm -91.65 97.91 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 m 60.07 53.67 4.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.98 146.98 44.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 48' ' ' SER . 53.7 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 47' ' ' PRO . 14.8 m -34.76 -52.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -129.2 134.87 48.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.436 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m -82.35 159.36 23.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m -95.38 95.59 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.43 76.38 0.61 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.5 p -114.64 41.88 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 110.846 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 p -84.95 124.3 31.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.9 109.14 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.6 m -69.54 133.96 48.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.342 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.3 m -142.17 161.6 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.438 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -141.87 154.11 65.1 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.92 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 153.88 68.47 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -48.7 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.73 83.19 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.073 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -68.43 137.05 54.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -69.47 114.4 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.51 143.14 25.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -50.96 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.637 2.225 . . . . 0.0 112.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -92.07 143.25 27.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -165.63 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.7 t -56.12 173.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.436 ' C ' ' OE1' ' A' ' 40' ' ' GLN . 51.8 m -42.55 122.11 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.465 HD11 ' N ' ' A' ' 22' ' ' ILE . 3.1 mp -90.37 145.72 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.462 ' N ' HG23 ' A' ' 22' ' ' ILE . 3.5 t -63.38 175.55 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -105.9 -24.86 12.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -88.76 -70.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 1.8 t80 -53.82 -26.17 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -51.65 -64.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.47 -56.45 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -52.75 -51.01 62.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.462 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 112.6 -29.07 8.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -106.83 158.38 17.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.341 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.8 t -146.27 134.81 10.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.657 0.742 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.54 16.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -106.09 -16.03 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.22 -142.25 47.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -31.65 19.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -62.86 -22.84 66.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.6 t -45.89 135.12 6.56 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.642 0.734 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -19.86 35.48 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 22' ' ' ILE . 37.7 mm-40 -87.59 171.28 10.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -100.87 141.13 34.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 54.5 m170 -112.06 77.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -95.36 115.69 27.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.3 mm -87.5 96.12 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -60.15 -45.84 91.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.2 83.39 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 1.25 4.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 m -56.05 150.85 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.6 p -152.37 137.16 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.478 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 60.47 42.25 14.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.885 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -153.8 173.25 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.16 72.9 2.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -114.84 -45.39 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -98.43 112.59 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.59 -127.76 3.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 m -39.28 134.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.1 m -145.92 162.25 38.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mp -94.59 143.24 25.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 150.81 68.88 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.24 . . . . 0.0 112.385 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 95.46 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.707 2.272 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.49 -57.51 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.1 p -111.3 158.76 18.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -134.43 167.33 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -104.05 137.52 19.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.732 . . . . 0.0 110.819 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 103.57 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.631 2.22 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -66.51 141.6 97.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 175.9 7.49 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -66.95 139.51 57.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 t -86.3 135.11 33.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.26 145.98 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.8 t -63.25 174.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -107.88 -24.11 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -88.68 -67.73 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.9 t80 -56.75 -25.32 54.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 t -51.56 -64.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.7 -56.97 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -52.44 -51.63 58.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.532 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 113.91 -29.98 7.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -104.27 160.16 15.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 25' ' ' ASN . 50.6 t -146.34 135.4 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -0.32 6.77 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.4 mt -114.33 -6.0 12.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.82 -142.29 30.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.49 18.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -60.38 -24.01 64.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.9 t -45.33 134.81 5.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -32.12 19.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -81.09 155.08 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -78.97 162.88 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 46.2 m170 -129.73 77.42 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.96 121.23 33.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 26' ' ' PHE . 45.6 mm -114.7 105.39 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.0 p -151.21 179.07 8.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.96 163.31 12.96 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 122.79 9.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.5 m -98.02 160.16 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -51.8 151.52 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.513 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.6 p -84.41 49.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.8 p -53.96 105.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.52 143.5 37.18 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 m 50.47 41.66 25.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.384 . . . . 0.0 110.906 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -103.83 170.13 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.18 40.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 m -114.55 80.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.3 m -103.3 143.97 31.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -83.52 139.67 41.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.82 58.35 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.07 28.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.0 40.2 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.3 t -145.04 125.8 14.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -131.09 110.68 11.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 24.4 ttm180 -91.59 139.45 25.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.825 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 53.7 Cg_endo -69.81 -50.68 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -117.08 151.16 47.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.69 1.23 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 t -99.78 139.24 35.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.5 m -43.71 132.7 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 23' ' ' CYS . 2.5 mp -90.77 146.19 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.468 ' N ' HG22 ' A' ' 22' ' ' ILE . 4.5 t -64.6 171.25 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.49 -23.49 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -89.98 -69.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.574 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.6 t80 -54.2 -29.56 46.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 t -48.69 -64.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.42 -55.49 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -55.92 -44.14 78.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.553 ' O ' ' CG ' ' A' ' 26' ' ' PHE . . . 105.33 -31.01 8.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -102.18 158.66 16.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.4 t -146.27 135.38 11.29 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.29 5.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.1 mt -112.06 -26.3 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.48 -139.97 28.63 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -35.93 11.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -61.21 -26.02 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 t -38.94 135.41 1.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -29.39 24.18 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.661 2.24 . . . . 0.0 112.397 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -87.24 163.85 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -84.98 163.5 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 59.2 m170 -127.21 78.79 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.46 118.49 36.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -102.54 99.2 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.5 t -137.74 114.55 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.83 -92.52 2.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -91.34 126.16 36.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.5 p -74.09 136.32 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.488 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m 54.66 42.03 31.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p -91.08 121.69 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.87 101.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 t -157.79 163.17 38.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.884 0.373 . . . . 0.0 110.836 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -79.11 -50.29 11.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.89 -123.12 1.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.6 m -139.45 130.11 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.3 m -124.41 89.32 3.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -75.69 155.98 84.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.936 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 166.81 26.3 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.389 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 150.2 68.29 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.23 -177.81 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -88.55 43.85 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.413 ' C ' ' HD3' ' A' ' 17' ' ' PRO . 19.3 t60 -105.76 109.05 20.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.615 ' N ' ' CD ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 52.07 43.78 1.77 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.848 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 53.9 Cg_endo -69.72 -35.14 13.33 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -84.5 140.88 38.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -12.3 32.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p -72.89 149.85 43.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.4 t -103.91 144.1 31.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -71.41 145.06 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.7 t -67.07 172.61 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -102.52 -24.14 13.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -86.68 -72.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 5.7 t80 -51.27 -26.36 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 t -51.7 -64.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.26 -61.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -46.47 -45.14 18.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.15 -16.41 53.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -124.26 155.24 38.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.5 t -141.16 134.07 14.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.32 18.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -104.44 -15.77 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.21 -141.83 48.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -31.97 19.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.18 -24.16 67.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 41.9 t -43.64 135.13 3.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.647 0.737 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.74 12.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -113.95 155.03 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -79.97 157.47 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 42.2 m170 -128.26 72.62 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.58 139.57 36.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.7 mm -114.35 107.33 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.4 p -117.66 109.4 16.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -92.12 -77.11 1.35 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 101.85 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.7 t -65.01 -62.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.3 p -91.61 153.52 19.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.442 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -80.79 110.34 16.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -133.94 176.99 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.87 -103.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -123.22 98.7 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -80.83 81.93 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.82 152.22 10.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.3 m -88.89 85.31 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.2 m -67.6 165.28 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 10' ' ' LEU . 2.7 pt? -152.95 146.18 17.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.49 60.41 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 13' ' ' ALA . 53.7 Cg_endo -69.77 2.87 3.15 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.752 2.301 . . . . 0.0 112.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' PRO . . . -34.07 -61.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 m -65.65 113.4 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -44.89 110.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -83.53 138.54 41.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -170.33 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.628 2.219 . . . . 0.0 112.348 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.595 ' CE1' ' CD1' ' A' ' 22' ' ' ILE . 7.2 p80 -106.69 140.38 21.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -16.42 37.75 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.643 2.228 . . . . 0.0 112.371 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.6 p -91.11 172.5 8.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 m -121.43 135.79 55.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.595 ' CD1' ' CE1' ' A' ' 18' ' ' HIS . 2.3 mp -71.53 140.01 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.458 ' N ' HG21 ' A' ' 22' ' ' ILE . 2.8 t -63.94 176.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -105.7 -28.58 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -84.24 -70.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.3 t80 -53.31 -29.51 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -47.94 -64.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.11 -57.02 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -50.8 -52.51 40.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.43 -29.21 7.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -106.66 158.6 16.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.26 135.18 11.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.611 0.72 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.0 11.14 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -110.23 -22.76 11.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.44 -139.38 35.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.5 10.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -59.73 -25.99 65.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.8 t -40.25 133.38 1.55 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.701 0.762 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.68 33.38 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.266 . . . . 0.0 112.385 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -102.41 151.19 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -78.49 148.04 33.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 41.9 m170 -116.7 56.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.05 114.52 11.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.09 99.06 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 m -85.0 -60.63 1.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.61 164.82 11.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -22.42 31.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -85.05 129.89 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.6 p -76.39 -24.64 54.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.46 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -171.9 151.51 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -145.35 152.29 39.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 143.38 -149.34 21.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.53 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' GLY . 86.4 p -36.32 -48.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.836 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -167.62 174.09 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.22 -90.35 0.27 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -100.61 93.52 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.323 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.8 m -109.4 124.48 51.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 10' ' ' LEU . 3.9 pp -128.91 152.44 79.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 139.24 39.96 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.718 2.279 . . . . 0.0 112.307 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 117.85 5.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.45 93.43 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.5 p -130.39 155.67 46.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -127.59 125.95 41.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -123.88 146.08 49.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.719 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 87.38 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.325 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -71.77 143.83 87.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.556 0.693 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 20' ' ' THR . 53.4 Cg_endo -69.77 161.31 46.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' SER . 8.6 t 34.0 52.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.8 t -33.89 143.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 23' ' ' CYS . 2.1 mp -71.34 140.17 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' N ' HG22 ' A' ' 22' ' ' ILE . 2.4 t -61.42 175.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -106.47 -29.81 9.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -81.58 -71.15 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 30' ' ' GLY . 1.9 t80 -52.44 -30.46 29.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -47.16 -64.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.2 -54.83 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -54.03 -50.77 65.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.579 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 113.13 -32.25 6.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -102.52 158.75 16.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.6 t -146.34 135.78 11.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.85 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 mt -84.95 -21.24 29.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' HA3' ' HD2' ' A' ' 36' ' ' PRO . . . 65.77 -138.8 38.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.418 ' HD2' ' HA3' ' A' ' 35' ' ' GLY . 53.4 Cg_endo -69.74 -38.68 7.51 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -56.81 -26.25 57.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.8 t -43.47 134.42 3.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -36.94 9.77 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -71.25 169.41 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -99.53 146.47 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.478 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 39.2 m170 -114.4 75.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.15 117.08 34.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.84 96.48 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.0 p -62.53 -49.43 75.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.16 147.31 4.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.09 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.4 m -130.59 -70.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m -128.7 42.89 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.812 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.484 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m -93.45 137.41 32.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t -90.89 -55.95 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.43 -128.29 6.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -49.61 132.67 21.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.366 . . . . 0.0 110.883 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -125.5 120.63 31.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.29 -75.35 1.03 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.8 m -50.88 144.03 9.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 p -61.22 172.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.473 ' N ' HD21 ' A' ' 10' ' ' LEU . 4.4 mm? -98.46 142.28 24.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.596 0.712 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.85 51.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.296 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 135.43 30.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.399 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.51 163.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.6 m -107.77 137.69 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' ARG . 21.8 t-80 -64.95 -57.54 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' HIS . 43.5 mtt180 -34.56 146.49 0.15 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.641 0.734 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -46.0 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.248 . . . . 0.0 112.356 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -83.07 140.45 42.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -6.05 17.68 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.361 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t -123.84 153.05 41.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -77.32 126.01 30.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.5 mp -74.18 147.84 8.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.465 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 4.6 t -64.35 172.87 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -104.45 -26.76 12.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -87.47 -71.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.5 t80 -52.81 -26.5 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -51.85 -64.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.17 -61.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -45.72 -53.1 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.4 6.05 31.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -145.43 155.62 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.343 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.3 t -146.33 134.46 10.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -5.28 15.87 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.7 mt -98.65 -24.38 15.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 36' ' ' PRO . . . 65.89 -136.88 35.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 35' ' ' GLY . 53.7 Cg_endo -69.8 -39.48 6.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -56.9 -25.31 56.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.9 t -42.08 135.02 2.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -32.23 18.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.305 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 23' ' ' CYS . 14.6 mt-30 -91.91 149.53 21.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -70.97 164.61 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.557 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 45.0 m170 -124.06 90.44 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.65 143.77 37.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.4 HD13 ' CD1' ' A' ' 26' ' ' PHE . 48.9 mm -117.83 105.97 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m 38.34 41.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.92 -168.14 31.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 86.31 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.396 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.2 m -126.87 108.32 10.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.2 p -79.59 -45.8 18.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.498 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -61.4 125.43 23.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -142.48 132.9 25.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.92 -99.92 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -130.41 43.01 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -45.39 -55.76 5.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.25 77.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.8 p -131.27 -39.71 1.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.9 t -41.4 115.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.07 152.57 96.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.729 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 148.21 64.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.82 18.24 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.38 141.36 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.7 p -40.19 -48.87 2.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -61.8 -45.9 91.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 mmt85 -57.14 137.83 80.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.634 0.73 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 0.83 5.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.511 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 5.8 t60 -65.68 140.21 97.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.705 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.511 ' HD2' ' CG ' ' A' ' 18' ' ' HIS . 53.3 Cg_endo -69.77 179.24 3.84 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 41' ' ' SER . 7.1 t -116.07 143.76 45.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.5 m -47.7 127.43 11.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 23' ' ' CYS . 2.1 mp -74.24 145.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' N ' HG23 ' A' ' 22' ' ' ILE . 3.7 t -61.34 172.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -107.16 -23.61 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -89.87 -69.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -54.73 -26.2 32.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t -51.91 -64.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.19 -58.4 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.067 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -50.67 -53.36 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.492 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 115.18 -28.11 8.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -107.0 158.98 16.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.9 t -146.35 135.13 11.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.49 6.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.9 mt -112.69 -18.95 12.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.39 -138.01 42.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.3 8.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -57.35 -24.64 56.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.6 t -43.78 134.71 3.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.655 0.741 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.06 24.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.83 154.52 21.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.461 ' HB2' ' CG2' ' A' ' 20' ' ' THR . 2.2 t -79.91 160.05 26.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 49.7 m170 -126.76 78.38 1.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.01 98.42 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.564 HD11 ' CD1' ' A' ' 26' ' ' PHE . 88.8 mt -91.84 100.71 11.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.0 p -160.27 132.58 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.69 -153.69 19.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 176.38 6.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -107.36 -59.85 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.7 p -62.54 -18.54 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.477 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -58.89 -51.71 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.821 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -136.41 172.09 13.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.2 63.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -50.74 -58.5 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.813 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -62.3 -56.65 16.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.55 119.59 0.5 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 m -132.68 147.58 52.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.0 t -116.49 95.13 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' N ' HD21 ' A' ' 10' ' ' LEU . 2.6 mm? -88.24 152.76 50.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 148.69 65.71 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.382 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 102.03 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.01 140.13 40.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.1 m -105.45 120.46 41.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -167.54 146.48 4.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 37.3 ttp180 -89.85 139.35 27.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 53.3 Cg_endo -69.82 157.38 60.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.304 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -78.54 151.3 77.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.721 . . . . 0.0 110.825 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 122.3 8.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.25 . . . . 0.0 112.363 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 t -71.15 -31.07 67.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -169.66 113.7 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 23' ' ' CYS . 2.7 mp -73.84 146.73 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.468 ' N ' HG21 ' A' ' 22' ' ' ILE . 1.8 t -64.16 177.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.85 -37.06 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.85 -66.36 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD2' ' ND1' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -54.19 -36.74 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 t -41.99 -63.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.7 -62.08 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -49.99 -38.31 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.607 ' O ' ' CE1' ' A' ' 26' ' ' PHE . . . 96.28 -21.6 44.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -106.88 156.12 19.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.8 t -146.33 135.57 11.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 0.63 5.4 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.8 mt -113.89 -16.81 12.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.19 -141.62 43.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -35.47 12.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -59.52 -25.67 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.3 t -41.8 135.89 2.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.646 0.736 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -27.36 26.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -87.27 151.44 23.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -77.48 162.16 27.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' A' ' 26' ' ' PHE . 58.3 m170 -128.72 66.54 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.25 107.2 19.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.504 HD11 ' CD1' ' A' ' 26' ' ' PHE . 4.1 mp -99.42 107.27 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.8 p -110.5 127.84 55.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.29 70.17 1.09 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -7.5 21.24 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.301 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -88.09 -44.82 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.3 t -82.46 124.22 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.438 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -102.13 -48.85 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -53.45 126.91 23.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.58 57.54 1.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -67.29 109.64 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 p -132.39 166.12 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.56 128.92 9.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.0 m -85.44 65.59 9.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.747 0.308 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m 49.1 41.44 19.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -69.21 149.73 97.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 161.21 46.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.63 2.22 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -9.98 27.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.13 114.68 27.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.4 p -99.51 176.35 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -82.46 40.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -141.45 153.36 65.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.573 0.701 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 175.92 7.42 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -111.26 142.25 26.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.836 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -44.36 2.11 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.305 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.62 151.77 49.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 t -114.78 123.47 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.463 ' CG1' ' OD2' ' A' ' 43' ' ' ASP . 2.5 mp -82.28 144.36 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.52 176.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.05 -28.62 9.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -82.91 -70.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.4 t80 -54.84 -28.19 47.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -49.99 -63.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.83 -61.4 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -49.88 -50.08 47.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.55 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 112.25 -28.15 9.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.532 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -106.02 156.65 18.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 45.8 t -143.54 135.19 12.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -2.1 9.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.2 mt -110.89 -15.65 13.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.84 -141.4 47.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -33.1 17.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.626 2.217 . . . . 0.0 112.383 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -61.41 -23.87 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.3 t -43.77 135.57 3.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -26.39 27.37 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -88.56 154.88 19.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -80.24 158.17 26.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.555 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 57.6 m170 -126.15 73.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.463 ' OD2' ' CG1' ' A' ' 22' ' ' ILE . 1.7 p30 -92.21 120.78 33.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mm -102.55 96.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -103.1 158.44 16.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.3 -95.74 2.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 139.58 40.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.631 2.22 . . . . 0.0 112.387 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.6 m -67.34 104.94 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -98.17 93.74 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.801 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.519 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -95.28 89.68 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -131.11 111.89 12.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.27 98.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -110.41 150.2 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -138.05 116.22 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.13 117.28 3.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.4 m -59.83 -56.51 20.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.3 p -41.37 142.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -159.54 150.23 15.74 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.621 0.724 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.0 52.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 162.22 42.88 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.389 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.97 34.85 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.143 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 m -67.33 141.36 57.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -83.24 -53.52 5.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' NH1' ' HB ' ' A' ' 20' ' ' THR . 9.4 ptp180 -100.29 142.97 25.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -35.94 11.96 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.738 2.292 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -112.72 142.58 27.4 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.646 0.736 . . . . 0.0 110.785 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.01 19.88 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.416 ' HB ' ' NH1' ' A' ' 16' ' ' ARG . 1.8 t -98.15 -15.56 19.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 p -171.31 123.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.468 ' N ' HD13 ' A' ' 22' ' ' ILE . 2.0 mp -90.68 145.08 7.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 3.2 t -61.63 176.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.48 -30.73 8.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -83.44 -71.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.7 t80 -52.49 -33.1 43.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 t -45.25 -64.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.04 -55.18 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -55.87 -42.66 76.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 102.94 -29.39 12.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 -105.09 156.81 17.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 44.4 t -146.3 135.01 11.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.98 31.94 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.73 2.286 . . . . 0.0 112.311 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.5 mt -95.54 -17.42 21.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.87 -142.49 47.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.66 23.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.317 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -64.33 -25.52 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.4 t -42.42 134.55 2.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -37.76 8.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.719 2.28 . . . . 0.0 112.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 23' ' ' CYS . 13.4 mt-30 -81.88 146.3 29.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -68.49 168.0 13.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 44.1 m170 -125.57 53.93 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -90.34 102.47 15.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mp -78.16 101.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.6 p -90.49 107.01 18.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.02 -176.89 47.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 86.28 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.327 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -143.02 118.23 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 m -50.28 116.28 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.494 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.7 mp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.918 0.389 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.4 t -65.63 175.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -105.05 -29.46 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -85.18 -67.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.9 t80 -55.74 -27.03 48.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -50.92 -64.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.74 -60.23 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -47.65 -53.16 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.483 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.51 -26.21 9.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.502 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -109.78 159.12 17.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.28 135.04 11.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -4.18 13.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 34' ' ' LEU . 19.8 mt -106.99 -12.11 15.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.45 -144.8 45.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HG2' ' NE2' ' A' ' 37' ' ' GLN . 53.8 Cg_endo -69.79 -26.05 27.83 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.409 ' NE2' ' HG2' ' A' ' 36' ' ' PRO . 2.2 mp0 -66.9 -25.59 66.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.2 t -40.99 135.01 1.7 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -21.29 33.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -92.45 149.63 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -74.81 153.25 38.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 7.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.5 mp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.902 0.382 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.457 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.0 t -65.43 174.13 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -105.29 -22.05 13.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -91.17 -68.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.3 t80 -55.58 -24.87 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -53.35 -64.4 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.7 -59.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -49.89 -49.08 50.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.421 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 110.22 -26.26 14.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -109.85 159.41 17.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.12 135.03 11.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.03 6.35 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 34' ' ' LEU . 16.8 mt -111.94 -10.38 13.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.4 -146.24 40.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -23.32 31.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -69.07 -24.28 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -42.94 135.12 2.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -19.54 36.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -90.16 164.17 14.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -90.02 146.92 24.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.549 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 14.3 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.2 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.9 t -61.6 179.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.75 -23.6 10.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -90.21 -68.01 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -55.63 -27.19 48.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.2 t -50.93 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.99 -58.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -50.47 -55.09 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.504 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 117.2 -27.71 7.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -107.4 158.3 17.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.28 135.15 11.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -1.74 9.02 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 34' ' ' LEU . 18.4 mt -108.99 -20.25 13.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.58 -143.11 43.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.72 23.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.307 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -65.01 -24.94 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.2 t -41.44 135.64 1.92 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -23.87 30.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -93.54 149.02 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -73.32 157.14 37.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 5.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.3 mp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.867 0.365 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.9 t -63.53 178.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -109.05 -29.83 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -83.38 -71.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 30' ' ' GLY . 1.2 t80 -51.57 -33.88 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.6 t -44.32 -64.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.28 -55.3 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -54.97 -45.73 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.536 ' O ' ' CD1' ' A' ' 26' ' ' PHE . . . 106.49 -29.95 10.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -103.77 157.43 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.0 t -146.22 135.32 11.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -1.35 8.35 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 34' ' ' LEU . 15.6 mt -110.3 -12.38 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.32 -144.97 47.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.58 27.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.39 -24.69 66.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.4 135.6 2.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.11 25.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.29 170.93 14.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -96.61 151.39 19.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.527 ' CD2' ' CD2' ' A' ' 26' ' ' PHE . 7.1 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.7 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.881 0.372 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.503 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.8 t -64.41 175.85 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -106.16 -27.53 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -86.3 -66.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.5 t80 -55.99 -26.75 49.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 t -51.5 -64.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.17 -60.42 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -47.95 -52.86 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.06 -26.51 9.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -109.43 158.87 17.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.4 t -146.28 135.04 11.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -5.85 17.19 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.375 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -105.56 -20.03 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.21 -141.12 42.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -33.45 16.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -61.47 -25.97 67.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.5 t -41.03 134.78 1.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.95 37.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.617 2.211 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -97.16 153.28 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -79.42 153.51 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 11.0 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.6 mp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.9 t -64.2 173.47 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -105.57 -22.23 13.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -89.78 -69.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -55.03 -26.9 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -50.14 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.7 -58.04 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -49.52 -53.22 24.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.469 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.8 -27.51 8.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -108.67 158.64 17.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.25 134.98 11.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -1.01 7.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.7 mt -113.38 -18.19 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.39 -141.06 43.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -34.25 14.86 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -60.52 -25.72 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -41.85 134.51 2.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -8.97 24.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.252 . . . . 0.0 112.382 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -105.86 157.13 17.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.2 155.67 27.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 5.7 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.4 mp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.845 0.355 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.528 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.9 t -66.07 172.23 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -104.56 -24.31 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -88.37 -69.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -54.71 -26.42 33.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -51.55 -64.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.6 -59.59 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -48.0 -54.3 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.945 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.34 -25.44 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -110.94 158.57 18.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.775 0.322 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.1 135.06 11.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -1.04 7.77 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 mt -110.85 -13.63 14.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.41 -142.84 47.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HG2' ' NE2' ' A' ' 37' ' ' GLN . 54.0 Cg_endo -69.74 -30.29 22.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' NE2' ' HG2' ' A' ' 36' ' ' PRO . 2.4 mp0 -63.43 -24.9 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.5 t -41.92 135.42 2.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -25.9 28.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.25 . . . . 0.0 112.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.67 153.86 20.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -77.17 159.15 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 6.0 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 23' ' ' CYS . 3.4 mp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.858 0.361 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.451 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.1 t -65.24 176.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.12 -24.77 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -88.83 -68.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.5 t80 -55.0 -30.07 58.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 t -47.84 -64.59 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.01 -60.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -48.21 -50.03 30.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 111.63 -28.73 9.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -106.86 159.28 16.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.3 t -146.35 135.24 11.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.79 7.43 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.3 mt -112.94 -22.93 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.48 -138.27 33.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -38.55 7.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -58.56 -26.31 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.5 t -38.47 134.91 0.94 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.669 0.747 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -13.51 34.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.384 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -98.91 173.56 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -100.18 145.87 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 7.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.666 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.0 mp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -60.1 174.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.11 -23.65 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -89.73 -68.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.3 t80 -56.47 -26.96 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 t -50.02 -64.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.19 -60.69 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -47.23 -51.53 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 112.73 -26.75 10.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -109.43 158.77 17.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 44.7 t -146.26 134.95 11.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 0.25 5.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.6 mt -113.14 -15.05 12.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.92 -141.87 48.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -31.89 19.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -62.58 -25.25 67.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -40.96 134.98 1.7 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.97 37.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -98.4 163.01 12.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -86.42 156.38 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 6.7 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 23' ' ' CYS . 3.1 mp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.85 0.357 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.467 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.5 t -63.38 175.55 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -105.9 -24.86 12.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -88.76 -70.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 1.8 t80 -53.82 -26.17 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -51.65 -64.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.47 -56.45 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -52.75 -51.01 62.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.462 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 112.6 -29.07 8.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -106.83 158.38 17.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.341 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.8 t -146.27 134.81 10.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.657 0.742 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.54 16.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 34' ' ' LEU . 19.4 mt -106.09 -16.03 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.22 -142.25 47.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -31.65 19.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -62.86 -22.84 66.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.6 t -45.89 135.12 6.56 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.642 0.734 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -19.86 35.48 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 22' ' ' ILE . 37.7 mm-40 -87.59 171.28 10.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -100.87 141.13 34.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 6.7 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.0 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.493 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.8 t -63.25 174.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -107.88 -24.11 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -88.68 -67.73 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 1.9 t80 -56.75 -25.32 54.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 t -51.56 -64.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.7 -56.97 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -52.44 -51.63 58.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.532 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 113.91 -29.98 7.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -104.27 160.16 15.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 25' ' ' ASN . 50.6 t -146.34 135.4 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -0.32 6.77 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.4 mt -114.33 -6.0 12.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.82 -142.29 30.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.49 18.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -60.38 -24.01 64.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.9 t -45.33 134.81 5.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -32.12 19.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -81.09 155.08 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -78.97 162.88 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.542 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 10.1 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.5 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.869 0.366 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.506 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.5 t -64.6 171.25 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.49 -23.49 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -89.98 -69.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 1.6 t80 -54.2 -29.56 46.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 t -48.69 -64.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.42 -55.49 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -55.92 -44.14 78.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.553 ' O ' ' CG ' ' A' ' 26' ' ' PHE . . . 105.33 -31.01 8.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -102.18 158.66 16.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.4 t -146.27 135.38 11.29 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.29 5.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.1 mt -112.06 -26.3 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.48 -139.97 28.63 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -35.93 11.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -61.21 -26.02 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 t -38.94 135.41 1.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -29.39 24.18 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.661 2.24 . . . . 0.0 112.397 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -87.24 163.85 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -84.98 163.5 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 22' ' ' ILE . 1.8 mp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.85 0.357 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.479 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.7 t -67.07 172.61 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -102.52 -24.14 13.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -86.68 -72.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 5.7 t80 -51.27 -26.36 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 t -51.7 -64.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.26 -61.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -46.47 -45.14 18.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.15 -16.41 53.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -124.26 155.24 38.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.5 t -141.16 134.07 14.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.32 18.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -104.44 -15.77 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.21 -141.83 48.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -31.97 19.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.18 -24.16 67.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 41.9 t -43.64 135.13 3.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.647 0.737 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.74 12.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -113.95 155.03 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -79.97 157.47 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.555 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 12.8 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.586 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.3 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.8 t -63.94 176.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -105.7 -28.58 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -84.24 -70.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.515 ' CE2' ' O ' ' A' ' 30' ' ' GLY . 2.3 t80 -53.31 -29.51 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -47.94 -64.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.11 -57.02 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -50.8 -52.51 40.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.43 -29.21 7.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -106.66 158.6 16.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.26 135.18 11.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.611 0.72 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.0 11.14 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -110.23 -22.76 11.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.44 -139.38 35.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.5 10.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -59.73 -25.99 65.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.8 t -40.25 133.38 1.55 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.701 0.762 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.68 33.38 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.266 . . . . 0.0 112.385 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -102.41 151.19 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -78.49 148.04 33.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.1 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.856 0.36 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.504 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.4 t -61.42 175.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -106.47 -29.81 9.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -81.58 -71.15 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 30' ' ' GLY . 1.9 t80 -52.44 -30.46 29.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -47.16 -64.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.2 -54.83 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -54.03 -50.77 65.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.579 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 113.13 -32.25 6.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -102.52 158.75 16.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.6 t -146.34 135.78 11.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.85 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 mt -84.95 -21.24 29.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.435 ' HA3' ' HD2' ' A' ' 36' ' ' PRO . . . 65.77 -138.8 38.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.435 ' HD2' ' HA3' ' A' ' 35' ' ' GLY . 53.4 Cg_endo -69.74 -38.68 7.51 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -56.81 -26.25 57.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.8 t -43.47 134.42 3.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -36.94 9.77 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.405 ' HB3' ' N ' ' A' ' 23' ' ' CYS . 11.2 mm-40 -71.25 169.41 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -99.53 146.47 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 13.8 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 22' ' ' ILE . 1.5 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.896 0.379 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.6 t -64.35 172.87 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -104.45 -26.76 12.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -71.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.5 t80 -52.81 -26.5 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -51.85 -64.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.17 -61.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -45.72 -53.1 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.4 6.05 31.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -145.43 155.62 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.343 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.3 t -146.33 134.46 10.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -5.28 15.87 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.7 mt -98.65 -24.38 15.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 36' ' ' PRO . . . 65.89 -136.88 35.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 35' ' ' GLY . 53.7 Cg_endo -69.8 -39.48 6.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -56.9 -25.31 56.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.9 t -42.08 135.02 2.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -32.23 18.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.305 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -91.91 149.53 21.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -70.97 164.61 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 7.9 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.1 mp . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.921 0.391 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.464 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.7 t -61.34 172.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -107.16 -23.61 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -89.87 -69.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -54.73 -26.2 32.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t -51.91 -64.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.19 -58.4 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.067 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -50.67 -53.36 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.492 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 115.18 -28.11 8.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -107.0 158.98 16.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.9 t -146.35 135.13 11.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.49 6.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.9 mt -112.69 -18.95 12.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.39 -138.01 42.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.3 8.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -57.35 -24.64 56.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.6 t -43.78 134.71 3.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.655 0.741 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.06 24.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.83 154.52 21.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -79.91 160.05 26.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 8.8 m-70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.7 mp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.8 t -64.16 177.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.85 -37.06 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -78.85 -66.36 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.827 ' CD2' ' CD2' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -54.19 -36.74 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 t -41.99 -63.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.7 -62.08 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -49.99 -38.31 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.607 ' O ' ' CE1' ' A' ' 26' ' ' PHE . . . 96.28 -21.6 44.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -106.88 156.12 19.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.8 t -146.33 135.57 11.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 0.63 5.4 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 34' ' ' LEU . 15.8 mt -113.89 -16.81 12.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.19 -141.62 43.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -35.47 12.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -59.52 -25.67 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.3 t -41.8 135.89 2.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.646 0.736 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -27.36 26.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -87.27 151.44 23.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -77.48 162.16 27.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.827 ' CD2' ' CD2' ' A' ' 26' ' ' PHE . 6.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.5 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.517 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.0 t -65.52 176.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.05 -28.62 9.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -82.91 -70.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 30' ' ' GLY . 2.4 t80 -54.84 -28.19 47.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -49.99 -63.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.83 -61.4 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -49.88 -50.08 47.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.55 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 112.25 -28.15 9.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.532 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -106.02 156.65 18.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 45.8 t -143.54 135.19 12.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -2.1 9.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.2 mt -110.89 -15.65 13.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.84 -141.4 47.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -33.1 17.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.626 2.217 . . . . 0.0 112.383 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -61.41 -23.87 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.3 t -43.77 135.57 3.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -26.39 27.37 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -88.56 154.88 19.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -80.24 158.17 26.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.548 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.0 mp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.886 0.374 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -61.63 176.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.48 -30.73 8.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -83.44 -71.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 30' ' ' GLY . 1.7 t80 -52.49 -33.1 43.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 t -45.25 -64.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.04 -55.18 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -55.87 -42.66 76.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 102.94 -29.39 12.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 -105.09 156.81 17.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 44.4 t -146.3 135.01 11.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.98 31.94 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.73 2.286 . . . . 0.0 112.311 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 34' ' ' LEU . 21.5 mt -95.54 -17.42 21.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.87 -142.49 47.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.66 23.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.317 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -64.33 -25.52 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.4 t -42.42 134.55 2.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -37.76 8.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.719 2.28 . . . . 0.0 112.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -81.88 146.3 29.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -68.49 168.0 13.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 8.4 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -74.11 147.6 42.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.4 p -160.66 123.01 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.53 -89.3 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 p -41.99 128.02 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -88.07 45.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.73 124.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.0 t -91.7 52.73 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.1 m -90.67 159.27 16.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 10' ' ' LEU . 1.9 mm? -64.93 154.04 87.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 164.5 34.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' ALA . 53.8 Cg_endo -69.7 2.75 3.22 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' PRO . . . -34.05 -42.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.094 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 m -161.71 131.16 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -73.23 127.37 32.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -57.98 154.46 28.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.38 32.81 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.329 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -97.51 150.46 36.82 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.583 0.706 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 158.35 57.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -88.2 -35.43 17.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 t -174.2 121.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.7 mp -87.24 147.85 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.4 t -65.63 175.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -105.05 -29.46 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -85.18 -67.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.9 t80 -55.74 -27.03 48.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -50.92 -64.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.74 -60.23 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -47.65 -53.16 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.483 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.51 -26.21 9.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.502 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -109.78 159.12 17.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.28 135.04 11.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -4.18 13.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 34' ' ' LEU . 19.8 mt -106.99 -12.11 15.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.45 -144.8 45.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HG2' ' NE2' ' A' ' 37' ' ' GLN . 53.8 Cg_endo -69.79 -26.05 27.83 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.409 ' NE2' ' HG2' ' A' ' 36' ' ' PRO . 2.2 mp0 -66.9 -25.59 66.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.2 t -40.99 135.01 1.7 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -21.29 33.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -92.45 149.63 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -74.81 153.25 38.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 52.5 m170 -123.6 84.77 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -104.64 118.62 37.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.432 HD11 ' CE1' ' A' ' 26' ' ' PHE . 12.6 mm -95.02 100.3 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -84.5 -60.67 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.26 70.08 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 171.93 13.53 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.396 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.2 p -120.61 155.33 33.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -111.48 130.96 55.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.47 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 t -84.22 123.13 29.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 110.827 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -114.32 122.41 46.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.4 -94.47 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -135.79 116.77 14.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -119.23 -47.7 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.25 82.33 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.434 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.7 m -124.63 -58.73 1.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.6 p -167.88 175.36 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.433 ' CD2' ' H ' ' A' ' 10' ' ' LEU . 3.4 mm? -48.33 141.38 9.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.596 0.713 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.12 58.1 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.366 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.69 33.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.49 44.65 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -88.05 156.28 19.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -109.17 157.49 18.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.26 144.44 53.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.61 18.55 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.625 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 51.6 t-80 -89.86 138.57 27.76 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.713 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD2' ' CD2' ' A' ' 18' ' ' HIS . 53.8 Cg_endo -69.75 176.42 6.78 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.364 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -95.12 -24.35 16.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.436 ' C ' ' OE1' ' A' ' 40' ' ' GLN . 6.0 m -174.11 131.98 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.5 mp -95.12 145.94 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.457 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.0 t -65.43 174.13 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -105.29 -22.05 13.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -91.17 -68.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.3 t80 -55.58 -24.87 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -53.35 -64.4 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.7 -59.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -49.89 -49.08 50.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.421 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 110.22 -26.26 14.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -109.85 159.41 17.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.12 135.03 11.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.03 6.35 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 34' ' ' LEU . 16.8 mt -111.94 -10.38 13.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.4 -146.24 40.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -23.32 31.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -69.07 -24.28 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -42.94 135.12 2.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -19.54 36.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' OE1' ' C ' ' A' ' 21' ' ' SER . 23.0 mm-40 -90.16 164.17 14.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -90.02 146.92 24.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 39.5 m170 -120.25 75.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.63 114.03 27.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.6 mt -111.24 97.71 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -107.35 167.25 10.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.08 -94.93 0.9 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.52 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.365 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.3 p -90.25 89.42 7.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -108.28 152.05 25.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.498 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -144.29 154.97 43.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.844 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -84.25 163.97 19.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.4 143.25 11.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 p -46.73 -53.64 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.7 m -76.39 107.58 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.15 -44.55 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -97.89 -41.47 8.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.8 m -60.64 149.42 35.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.7 pp -39.22 149.92 0.24 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.668 0.747 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 161.48 45.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.632 2.221 . . . . 0.0 112.377 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 175.31 8.3 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.725 2.283 . . . . 0.0 112.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.79 124.45 46.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.0 p -122.44 -48.07 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -112.05 166.31 11.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -107.7 144.03 28.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -4.28 13.69 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.626 2.217 . . . . 0.0 112.383 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -69.3 157.44 89.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 175.45 8.13 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.683 2.256 . . . . 0.0 112.307 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 21' ' ' SER . 9.6 t -82.84 156.66 23.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 20' ' ' THR . 17.4 m -36.74 125.98 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.2 mp -79.69 144.49 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.9 t -61.6 179.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.75 -23.6 10.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -90.21 -68.01 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.2 t80 -55.63 -27.19 48.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.2 t -50.93 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.99 -58.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -50.47 -55.09 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.504 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 117.2 -27.71 7.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -107.4 158.3 17.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.28 135.15 11.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -1.74 9.02 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 34' ' ' LEU . 18.4 mt -108.99 -20.25 13.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.58 -143.11 43.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.72 23.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.307 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -65.01 -24.94 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.2 t -41.44 135.64 1.92 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -23.87 30.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -93.54 149.02 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -73.32 157.14 37.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 58.9 m170 -122.43 86.31 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -101.89 125.74 48.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 26' ' ' PHE . 23.9 mm -95.29 96.65 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 44' ' ' ILE . 70.1 m -34.9 151.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.15 66.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' SER . 53.9 Cg_endo -69.83 -8.8 24.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' SER . 78.2 p -56.37 83.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' PRO . 94.2 p 34.63 47.65 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -102.69 -52.68 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 110.903 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -132.76 115.3 15.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.19 85.86 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m 60.53 45.65 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.38 . . . . 0.0 110.841 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -94.93 151.17 19.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.55 -170.51 20.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -103.39 127.49 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.4 p -98.6 127.99 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.818 ' H ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -74.28 151.48 87.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.6 0.714 . . . . 0.0 110.927 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.75 61.18 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.373 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 111.35 2.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.4 40.81 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.474 ' O ' HG22 ' A' ' 14' ' ' THR . 7.8 m -83.26 39.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -130.1 173.03 11.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 29.6 ttm-85 -153.79 139.62 12.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.571 0.7 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 53.4 Cg_endo -69.79 113.11 3.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -102.5 143.81 27.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.87 15.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.685 HG23 ' HB2' ' A' ' 41' ' ' SER . 4.0 t -63.83 151.38 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' THR . 16.7 m -35.58 127.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.3 mp -84.74 143.37 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.9 t -63.53 178.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -109.05 -29.83 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -83.38 -71.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' A' ' 44' ' ' ILE . 1.2 t80 -51.57 -33.88 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.6 t -44.32 -64.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.28 -55.3 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -54.97 -45.73 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.536 ' O ' ' CD1' ' A' ' 26' ' ' PHE . . . 106.49 -29.95 10.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -103.77 157.43 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.0 t -146.22 135.32 11.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -1.35 8.35 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 34' ' ' LEU . 15.6 mt -110.3 -12.38 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.32 -144.97 47.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.58 27.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.39 -24.69 66.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.4 135.6 2.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.11 25.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.29 170.93 14.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.685 ' HB2' HG23 ' A' ' 20' ' ' THR . 1.2 t -96.61 151.39 19.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.586 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 56.1 m170 -118.72 70.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.21 117.09 34.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.703 HD11 ' CE1' ' A' ' 26' ' ' PHE . 5.0 mp -103.52 107.39 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.4 p -133.45 -175.0 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.21 -157.67 12.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 135.14 29.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.9 p -121.24 120.89 36.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.5 p -113.53 157.48 21.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.499 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -50.36 124.38 10.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -118.76 114.08 22.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.88 -90.74 0.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p -50.73 136.17 22.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 m -119.42 123.34 43.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.12 60.95 2.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.4 m -145.73 108.69 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -85.95 147.13 26.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -168.01 143.98 3.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.642 0.734 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 167.16 25.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.27 . . . . 0.0 112.356 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.14 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.46 120.66 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.455 HG22 ' ND1' ' A' ' 15' ' ' HIS . 54.6 m -79.8 69.56 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.134 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.455 ' ND1' HG22 ' A' ' 14' ' ' THR . 55.0 p-80 40.58 27.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 20' ' ' THR . 79.8 mtp180 -137.31 142.74 38.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.64 2.226 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -121.65 146.68 46.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.826 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -33.98 15.56 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.442 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 37.1 p -39.76 160.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -105.02 133.52 49.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.7 mp -71.49 141.98 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.503 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.8 t -64.41 175.85 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -106.16 -27.53 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -86.3 -66.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.5 t80 -55.99 -26.75 49.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 t -51.5 -64.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.17 -60.42 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -47.95 -52.86 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.06 -26.51 9.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -109.43 158.87 17.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.4 t -146.28 135.04 11.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -5.85 17.19 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.375 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -105.56 -20.03 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.21 -141.12 42.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -33.45 16.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -61.47 -25.97 67.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.5 t -41.03 134.78 1.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.95 37.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.617 2.211 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -97.16 153.28 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -79.42 153.51 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 45.5 m170 -121.99 79.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 19.4 t0 -110.4 114.8 28.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 26' ' ' PHE . 47.8 mt -114.02 96.31 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.7 p -58.73 109.91 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.46 -160.72 18.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 87.99 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.276 . . . . 0.0 112.332 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -166.92 164.09 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.1 p -49.04 146.33 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.477 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -99.86 -61.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -63.79 -48.4 77.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.5 70.64 2.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -118.19 41.46 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 p -125.99 166.82 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.1 153.77 17.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m -111.92 47.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.2 m 62.22 50.94 3.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.8 mm? -58.31 148.8 62.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.614 0.721 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.58 65.3 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 113.67 3.45 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.743 2.295 . . . . 0.0 112.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.45 161.42 15.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.8 p -131.23 91.72 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -71.89 -40.33 68.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -146.85 150.86 40.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 0.77 5.2 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -113.1 143.34 28.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.545 0.688 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 171.6 14.13 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.254 . . . . 0.0 112.376 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 22' ' ' ILE . 5.1 t -59.88 150.62 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.8 t -46.2 120.81 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 20' ' ' THR . 2.6 mp -85.74 147.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.9 t -64.2 173.47 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -105.57 -22.23 13.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -89.78 -69.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -55.03 -26.9 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -50.14 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.7 -58.04 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -49.52 -53.22 24.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.469 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.8 -27.51 8.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -108.67 158.64 17.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.25 134.98 11.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -1.01 7.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.7 mt -113.38 -18.19 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.39 -141.06 43.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -34.25 14.86 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -60.52 -25.72 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -41.85 134.51 2.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -8.97 24.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.252 . . . . 0.0 112.382 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -105.86 157.13 17.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.673 ' HB2' HG23 ' A' ' 20' ' ' THR . 1.0 OUTLIER -80.2 155.67 27.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 62.9 m170 -127.04 80.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -99.02 115.94 30.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 26' ' ' PHE . 30.6 mm -96.47 97.12 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 t -90.67 104.68 17.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.72 -171.43 31.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 168.2 22.33 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.8 p -125.4 -44.33 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.2 t -88.25 154.14 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.527 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -105.65 176.38 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -56.36 123.68 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.84 71.02 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -82.26 120.24 25.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -107.45 81.81 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.53 39.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.5 m -52.39 124.98 14.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.2 t -102.04 122.68 44.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.729 HD12 ' H ' ' A' ' 10' ' ' LEU . 3.6 mp -67.33 150.72 97.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.894 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.57 18.56 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.686 2.258 . . . . 0.0 112.388 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 165.88 29.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.13 -57.26 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 t -101.28 126.81 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -105.94 74.43 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -133.51 145.87 58.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.629 0.728 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.87 24.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -111.64 135.01 21.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.734 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 162.59 41.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 t -127.98 -31.79 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.5 t -169.54 111.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.4 mp -72.13 144.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.528 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.9 t -66.07 172.23 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -104.56 -24.31 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -88.37 -69.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.592 ' CD1' HD11 ' A' ' 44' ' ' ILE . 2.2 t80 -54.71 -26.42 33.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -51.55 -64.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.6 -59.59 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -48.0 -54.3 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.945 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.34 -25.44 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -110.94 158.57 18.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.775 0.322 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.1 135.06 11.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -1.04 7.77 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 mt -110.85 -13.63 14.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.41 -142.84 47.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HG2' ' NE2' ' A' ' 37' ' ' GLN . 54.0 Cg_endo -69.74 -30.29 22.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' NE2' ' HG2' ' A' ' 36' ' ' PRO . 2.4 mp0 -63.43 -24.9 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.5 t -41.92 135.42 2.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -25.9 28.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.25 . . . . 0.0 112.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.67 153.86 20.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -77.17 159.15 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.576 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 58.4 m170 -125.59 77.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -88.31 124.9 34.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 26' ' ' PHE . 30.6 mm -105.86 93.66 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.9 t -63.58 129.99 42.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -92.44 -157.22 33.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -172.2 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 2.244 . . . . 0.0 112.335 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 t 62.77 43.42 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 56.3 p -44.03 -58.61 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.465 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -114.83 145.52 42.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -114.7 143.33 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.61 -89.93 0.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -128.99 42.92 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -77.51 -53.49 7.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.56 -143.65 9.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.8 99.97 10.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.5 m -144.45 153.18 41.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' CD1' ' HD2' ' A' ' 11' ' ' PRO . 4.2 mm? -81.25 149.97 66.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.628 0.727 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.422 ' HD2' ' CD1' ' A' ' 10' ' ' LEU . 53.9 Cg_endo -69.73 147.78 63.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.334 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -18.01 37.28 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.722 2.282 . . . . 0.0 112.361 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.25 138.71 9.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.7 m -118.7 -60.49 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -68.2 111.43 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -49.89 142.87 12.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 140.99 44.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -105.89 142.04 23.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 109.53 2.33 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -58.37 -36.58 73.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -159.98 128.43 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 23' ' ' CYS . 3.4 mp -92.53 143.99 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.1 t -65.24 176.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.12 -24.77 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -88.83 -68.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 44' ' ' ILE . 2.5 t80 -55.0 -30.07 58.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 t -47.84 -64.59 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.01 -60.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -48.21 -50.03 30.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 111.63 -28.73 9.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -106.86 159.28 16.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.3 t -146.35 135.24 11.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.79 7.43 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.3 mt -112.94 -22.93 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.48 -138.27 33.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -38.55 7.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -58.56 -26.31 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.5 t -38.47 134.91 0.94 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.669 0.747 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -13.51 34.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.384 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -98.91 173.56 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -100.18 145.87 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.568 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 52.4 m170 -116.58 75.5 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -94.38 110.49 22.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.677 HD11 ' CE1' ' A' ' 26' ' ' PHE . 13.7 mm -83.86 94.07 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.5 p -70.39 136.91 50.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.5 155.32 26.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -14.9 36.99 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.4 p -40.0 112.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.5 p -65.79 -41.13 92.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.494 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -169.83 164.63 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -87.66 -47.54 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.12 88.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -53.33 109.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 p -60.69 -43.39 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.01 123.75 5.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.3 t -99.45 83.47 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.9 p -148.82 145.81 27.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.701 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -125.22 155.53 71.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.08 25.47 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.533 ' O ' HG23 ' A' ' 14' ' ' THR . 53.5 Cg_endo -69.78 -42.83 3.05 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 2.239 . . . . 0.0 112.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.56 91.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 12' ' ' PRO . 40.5 p -95.52 39.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -78.22 -51.84 9.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.421 HH21 ' N ' ' A' ' 48' ' ' SER . 10.8 ptt180 -164.03 150.9 10.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 110.05 2.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.397 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -71.46 150.83 93.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.71 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -172.8 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.313 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -104.55 -33.15 8.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.9 t -169.55 138.6 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.666 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.0 mp -95.3 137.17 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -60.1 174.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.11 -23.65 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -89.73 -68.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.3 t80 -56.47 -26.96 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 t -50.02 -64.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.19 -60.69 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -47.23 -51.53 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 112.73 -26.75 10.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -109.43 158.77 17.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 44.7 t -146.26 134.95 11.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 0.25 5.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.6 mt -113.14 -15.05 12.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.92 -141.87 48.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -31.89 19.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -62.58 -25.25 67.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -40.96 134.98 1.7 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.97 37.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -98.4 163.01 12.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -86.42 156.38 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 57.9 m170 -125.5 78.46 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.836 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -104.87 114.53 28.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mm -91.65 97.91 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 m 60.07 53.67 4.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.98 146.98 44.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 48' ' ' SER . 53.7 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 47' ' ' PRO . 14.8 m -34.76 -52.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -129.2 134.87 48.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.436 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m -82.35 159.36 23.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m -95.38 95.59 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.43 76.38 0.61 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.5 p -114.64 41.88 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 110.846 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 p -84.95 124.3 31.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.9 109.14 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.6 m -69.54 133.96 48.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.342 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.3 m -142.17 161.6 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -141.87 154.11 65.1 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.92 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 153.88 68.47 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -48.7 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.73 83.19 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.073 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -68.43 137.05 54.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -69.47 114.4 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.51 143.14 25.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -50.96 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.637 2.225 . . . . 0.0 112.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -92.07 143.25 27.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -165.63 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.7 ' O ' HD12 ' A' ' 22' ' ' ILE . 14.7 t -56.12 173.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.436 ' C ' ' OE1' ' A' ' 40' ' ' GLN . 51.8 m -42.55 122.11 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 20' ' ' THR . 3.1 mp -90.37 145.72 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.467 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.5 t -63.38 175.55 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -105.9 -24.86 12.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -88.76 -70.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.633 ' CE1' HD11 ' A' ' 44' ' ' ILE . 1.8 t80 -53.82 -26.17 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -51.65 -64.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.47 -56.45 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -52.75 -51.01 62.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.462 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 112.6 -29.07 8.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -106.83 158.38 17.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.341 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.8 t -146.27 134.81 10.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.657 0.742 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.54 16.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 34' ' ' LEU . 19.4 mt -106.09 -16.03 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.22 -142.25 47.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -31.65 19.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -62.86 -22.84 66.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.6 t -45.89 135.12 6.56 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.642 0.734 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -19.86 35.48 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 22' ' ' ILE . 37.7 mm-40 -87.59 171.28 10.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -100.87 141.13 34.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 54.5 m170 -112.06 77.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -95.36 115.69 27.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.633 HD11 ' CE1' ' A' ' 26' ' ' PHE . 49.3 mm -87.5 96.12 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -60.15 -45.84 91.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.2 83.39 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 1.25 4.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 m -56.05 150.85 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.6 p -152.37 137.16 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.478 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 60.47 42.25 14.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.885 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -153.8 173.25 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.16 72.9 2.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -114.84 -45.39 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -98.43 112.59 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.59 -127.76 3.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 m -39.28 134.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.1 m -145.92 162.25 38.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.2 mp -94.59 143.24 25.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 150.81 68.88 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.24 . . . . 0.0 112.385 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 95.46 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.707 2.272 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.49 -57.51 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.1 p -111.3 158.76 18.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -134.43 167.33 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -104.05 137.52 19.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.732 . . . . 0.0 110.819 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 103.57 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.631 2.22 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -66.51 141.6 97.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 175.9 7.49 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -66.95 139.51 57.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 t -86.3 135.11 33.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.0 mp -81.26 145.98 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.493 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.8 t -63.25 174.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -107.88 -24.11 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -88.68 -67.73 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.718 ' O ' HD11 ' A' ' 44' ' ' ILE . 1.9 t80 -56.75 -25.32 54.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 t -51.56 -64.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.7 -56.97 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -52.44 -51.63 58.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.532 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 113.91 -29.98 7.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -104.27 160.16 15.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 25' ' ' ASN . 50.6 t -146.34 135.4 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -0.32 6.77 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.4 mt -114.33 -6.0 12.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.82 -142.29 30.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.49 18.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -60.38 -24.01 64.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.9 t -45.33 134.81 5.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -32.12 19.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -81.09 155.08 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -78.97 162.88 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 46.2 m170 -129.73 77.42 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.96 121.23 33.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.718 HD11 ' O ' ' A' ' 26' ' ' PHE . 45.6 mm -114.7 105.39 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.0 p -151.21 179.07 8.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.96 163.31 12.96 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 122.79 9.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.5 m -98.02 160.16 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -51.8 151.52 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.513 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.6 p -84.41 49.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.8 p -53.96 105.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.52 143.5 37.18 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 m 50.47 41.66 25.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.384 . . . . 0.0 110.906 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -103.83 170.13 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.18 40.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 m -114.55 80.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.3 m -103.3 143.97 31.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.546 HD12 ' H ' ' A' ' 10' ' ' LEU . 3.8 mp -83.52 139.67 41.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.933 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.82 58.35 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.07 28.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.0 40.2 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.418 ' O ' HG23 ' A' ' 14' ' ' THR . 11.3 t -145.04 125.8 14.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -131.09 110.68 11.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.477 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 24.4 ttm180 -91.59 139.45 25.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.825 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 53.7 Cg_endo -69.81 -50.68 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -117.08 151.16 47.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.69 1.23 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.66 HG23 ' HB2' ' A' ' 41' ' ' SER . 7.6 t -99.78 139.24 35.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.5 m -43.71 132.7 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.5 mp -90.77 146.19 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.506 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.5 t -64.6 171.25 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.49 -23.49 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -89.98 -69.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.709 ' CE1' HD11 ' A' ' 44' ' ' ILE . 1.6 t80 -54.2 -29.56 46.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 t -48.69 -64.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.42 -55.49 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -55.92 -44.14 78.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.553 ' O ' ' CG ' ' A' ' 26' ' ' PHE . . . 105.33 -31.01 8.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -102.18 158.66 16.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.4 t -146.27 135.38 11.29 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.29 5.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.1 mt -112.06 -26.3 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.48 -139.97 28.63 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -35.93 11.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -61.21 -26.02 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 t -38.94 135.41 1.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -29.39 24.18 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.661 2.24 . . . . 0.0 112.397 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -87.24 163.85 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.66 ' HB2' HG23 ' A' ' 20' ' ' THR . 1.5 t -84.98 163.5 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 59.2 m170 -127.21 78.79 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.46 118.49 36.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.709 HD11 ' CE1' ' A' ' 26' ' ' PHE . 4.9 mp -102.54 99.2 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.5 t -137.74 114.55 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.83 -92.52 2.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -91.34 126.16 36.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.5 p -74.09 136.32 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.488 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m 54.66 42.03 31.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p -91.08 121.69 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.87 101.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 t -157.79 163.17 38.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.884 0.373 . . . . 0.0 110.836 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -79.11 -50.29 11.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.89 -123.12 1.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.6 m -139.45 130.11 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.3 m -124.41 89.32 3.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.749 HD13 ' H ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -75.69 155.98 84.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.936 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 166.81 26.3 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.389 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 150.2 68.29 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.23 -177.81 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -88.55 43.85 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.428 ' C ' ' HD3' ' A' ' 17' ' ' PRO . 19.3 t60 -105.76 109.05 20.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.615 ' N ' ' CD ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 52.07 43.78 1.77 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.848 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 53.9 Cg_endo -69.72 -35.14 13.33 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -84.5 140.88 38.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -12.3 32.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p -72.89 149.85 43.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.4 t -103.91 144.1 31.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 22' ' ' ILE . 1.8 mp -71.41 145.06 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.479 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.7 t -67.07 172.61 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -102.52 -24.14 13.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -86.68 -72.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 5.7 t80 -51.27 -26.36 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 t -51.7 -64.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.26 -61.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -46.47 -45.14 18.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.15 -16.41 53.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -124.26 155.24 38.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.5 t -141.16 134.07 14.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.32 18.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -104.44 -15.77 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.21 -141.83 48.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -31.97 19.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.18 -24.16 67.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 41.9 t -43.64 135.13 3.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.647 0.737 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.74 12.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -113.95 155.03 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -79.97 157.47 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 42.2 m170 -128.26 72.62 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.58 139.57 36.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.7 mm -114.35 107.33 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.4 p -117.66 109.4 16.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -92.12 -77.11 1.35 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 101.85 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.7 t -65.01 -62.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.3 p -91.61 153.52 19.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.442 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -80.79 110.34 16.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -133.94 176.99 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.87 -103.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -123.22 98.7 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -80.83 81.93 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.82 152.22 10.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.3 m -88.89 85.31 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.2 m -67.6 165.28 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 10' ' ' LEU . 2.7 pt? -152.95 146.18 17.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.49 60.41 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 13' ' ' ALA . 53.7 Cg_endo -69.77 2.87 3.15 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.752 2.301 . . . . 0.0 112.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' PRO . . . -34.07 -61.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 m -65.65 113.4 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -44.89 110.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -83.53 138.54 41.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -170.33 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.628 2.219 . . . . 0.0 112.348 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.595 ' CE1' ' CD1' ' A' ' 22' ' ' ILE . 7.2 p80 -106.69 140.38 21.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -16.42 37.75 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.643 2.228 . . . . 0.0 112.371 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.6 p -91.11 172.5 8.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 m -121.43 135.79 55.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.595 ' CD1' ' CE1' ' A' ' 18' ' ' HIS . 2.3 mp -71.53 140.01 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.8 t -63.94 176.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -105.7 -28.58 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -84.24 -70.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.628 ' CE1' HD11 ' A' ' 44' ' ' ILE . 2.3 t80 -53.31 -29.51 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -47.94 -64.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.11 -57.02 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -50.8 -52.51 40.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.43 -29.21 7.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -106.66 158.6 16.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.26 135.18 11.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.611 0.72 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.0 11.14 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -110.23 -22.76 11.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.44 -139.38 35.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.5 10.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -59.73 -25.99 65.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.8 t -40.25 133.38 1.55 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.701 0.762 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.68 33.38 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.266 . . . . 0.0 112.385 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -102.41 151.19 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -78.49 148.04 33.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 41.9 m170 -116.7 56.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.05 114.52 11.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.628 HD11 ' CE1' ' A' ' 26' ' ' PHE . 49.1 mm -90.09 99.06 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 m -85.0 -60.63 1.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.61 164.82 11.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -22.42 31.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -85.05 129.89 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.6 p -76.39 -24.64 54.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.46 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -171.9 151.51 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -145.35 152.29 39.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 143.38 -149.34 21.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.53 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' GLY . 86.4 p -36.32 -48.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.836 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -167.62 174.09 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.22 -90.35 0.27 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -100.61 93.52 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.323 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.8 m -109.4 124.48 51.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.9 pp -128.91 152.44 79.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 139.24 39.96 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.718 2.279 . . . . 0.0 112.307 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 117.85 5.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.45 93.43 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.5 p -130.39 155.67 46.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -127.59 125.95 41.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -123.88 146.08 49.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.719 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 87.38 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.325 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -71.77 143.83 87.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.556 0.693 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 20' ' ' THR . 53.4 Cg_endo -69.77 161.31 46.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' SER . 8.6 t 34.0 52.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.8 t -33.89 143.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.1 mp -71.34 140.17 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.504 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.4 t -61.42 175.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -106.47 -29.81 9.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -81.58 -71.15 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 30' ' ' GLY . 1.9 t80 -52.44 -30.46 29.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -47.16 -64.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.2 -54.83 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -54.03 -50.77 65.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.579 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 113.13 -32.25 6.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -102.52 158.75 16.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.6 t -146.34 135.78 11.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.85 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 mt -84.95 -21.24 29.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.435 ' HA3' ' HD2' ' A' ' 36' ' ' PRO . . . 65.77 -138.8 38.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.435 ' HD2' ' HA3' ' A' ' 35' ' ' GLY . 53.4 Cg_endo -69.74 -38.68 7.51 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -56.81 -26.25 57.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.8 t -43.47 134.42 3.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -36.94 9.77 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.405 ' HB3' ' N ' ' A' ' 23' ' ' CYS . 11.2 mm-40 -71.25 169.41 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -99.53 146.47 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.494 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 39.2 m170 -114.4 75.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.15 117.08 34.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.84 96.48 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.0 p -62.53 -49.43 75.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.16 147.31 4.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.09 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.4 m -130.59 -70.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m -128.7 42.89 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.812 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.484 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m -93.45 137.41 32.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t -90.89 -55.95 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.43 -128.29 6.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -49.61 132.67 21.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.366 . . . . 0.0 110.883 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -125.5 120.63 31.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.29 -75.35 1.03 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.8 m -50.88 144.03 9.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 p -61.22 172.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.46 142.28 24.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.596 0.712 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.85 51.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.296 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 135.43 30.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.399 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.51 163.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.6 m -107.77 137.69 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' ARG . 21.8 t-80 -64.95 -57.54 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' HIS . 43.5 mtt180 -34.56 146.49 0.15 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.641 0.734 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -46.0 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.248 . . . . 0.0 112.356 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -83.07 140.45 42.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -6.05 17.68 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.361 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t -123.84 153.05 41.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -77.32 126.01 30.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 22' ' ' ILE . 1.5 mp -74.18 147.84 8.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.475 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 4.6 t -64.35 172.87 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -104.45 -26.76 12.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -71.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.5 t80 -52.81 -26.5 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -51.85 -64.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.17 -61.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -45.72 -53.1 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.4 6.05 31.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -145.43 155.62 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.343 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.3 t -146.33 134.46 10.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -5.28 15.87 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.7 mt -98.65 -24.38 15.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 36' ' ' PRO . . . 65.89 -136.88 35.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 35' ' ' GLY . 53.7 Cg_endo -69.8 -39.48 6.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -56.9 -25.31 56.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.9 t -42.08 135.02 2.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -32.23 18.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.305 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 23' ' ' CYS . 14.6 mt-30 -91.91 149.53 21.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -70.97 164.61 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 45.0 m170 -124.06 90.44 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.65 143.77 37.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.419 HD11 ' CD1' ' A' ' 26' ' ' PHE . 48.9 mm -117.83 105.97 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m 38.34 41.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.92 -168.14 31.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 86.31 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.396 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.2 m -126.87 108.32 10.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.2 p -79.59 -45.8 18.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.498 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -61.4 125.43 23.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -142.48 132.9 25.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.92 -99.92 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -130.41 43.01 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -45.39 -55.76 5.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.25 77.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.8 p -131.27 -39.71 1.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.9 t -41.4 115.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.819 ' H ' HD23 ' A' ' 10' ' ' LEU . 1.2 pt? -69.07 152.57 96.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.729 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 148.21 64.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.82 18.24 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.38 141.36 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.7 p -40.19 -48.87 2.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -61.8 -45.9 91.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 mmt85 -57.14 137.83 80.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.634 0.73 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 0.83 5.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 5.8 t60 -65.68 140.21 97.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.705 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 18' ' ' HIS . 53.3 Cg_endo -69.77 179.24 3.84 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.658 HG23 ' HB2' ' A' ' 41' ' ' SER . 7.1 t -116.07 143.76 45.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.5 m -47.7 127.43 11.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.1 mp -74.24 145.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.464 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.7 t -61.34 172.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -107.16 -23.61 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -89.87 -69.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.577 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.2 t80 -54.73 -26.2 32.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t -51.91 -64.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.19 -58.4 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.067 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -50.67 -53.36 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.723 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 115.18 -28.11 8.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -107.0 158.98 16.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.9 t -146.35 135.13 11.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.49 6.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.9 mt -112.69 -18.95 12.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.39 -138.01 42.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.3 8.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -57.35 -24.64 56.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.6 t -43.78 134.71 3.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.655 0.741 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.06 24.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.83 154.52 21.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.658 ' HB2' HG23 ' A' ' 20' ' ' THR . 2.2 t -79.91 160.05 26.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 49.7 m170 -126.76 78.38 1.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.01 98.42 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.723 HD11 ' HA2' ' A' ' 30' ' ' GLY . 88.8 mt -91.84 100.71 11.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.0 p -160.27 132.58 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.69 -153.69 19.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 176.38 6.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -107.36 -59.85 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.7 p -62.54 -18.54 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.477 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -58.89 -51.71 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.821 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -136.41 172.09 13.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.2 63.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -50.74 -58.5 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.813 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -62.3 -56.65 16.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.55 119.59 0.5 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 m -132.68 147.58 52.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.0 t -116.49 95.13 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 10' ' ' LEU . 2.6 mm? -88.24 152.76 50.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 148.69 65.71 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.382 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 102.03 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.01 140.13 40.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.1 m -105.45 120.46 41.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -167.54 146.48 4.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 37.3 ttp180 -89.85 139.35 27.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 53.3 Cg_endo -69.82 157.38 60.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.304 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -78.54 151.3 77.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.721 . . . . 0.0 110.825 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 122.3 8.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.25 . . . . 0.0 112.363 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 20' ' ' THR . 2.6 t -71.15 -31.07 67.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -169.66 113.7 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.7 mp -73.84 146.73 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.8 t -64.16 177.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.85 -37.06 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -78.85 -66.36 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD2' ' ND1' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -54.19 -36.74 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 t -41.99 -63.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.7 -62.08 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -49.99 -38.31 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.607 ' O ' ' CE1' ' A' ' 26' ' ' PHE . . . 96.28 -21.6 44.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -106.88 156.12 19.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.8 t -146.33 135.57 11.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 0.63 5.4 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 34' ' ' LEU . 15.8 mt -113.89 -16.81 12.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.19 -141.62 43.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -35.47 12.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -59.52 -25.67 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.3 t -41.8 135.89 2.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.646 0.736 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -27.36 26.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -87.27 151.44 23.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -77.48 162.16 27.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' A' ' 26' ' ' PHE . 58.3 m170 -128.72 66.54 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.25 107.2 19.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 44' ' ' ILE . 4.1 mp -99.42 107.27 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.8 p -110.5 127.84 55.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.29 70.17 1.09 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -7.5 21.24 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.301 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -88.09 -44.82 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.3 t -82.46 124.22 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.438 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -102.13 -48.85 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -53.45 126.91 23.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.58 57.54 1.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -67.29 109.64 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 p -132.39 166.12 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.56 128.92 9.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.0 m -85.44 65.59 9.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.747 0.308 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m 49.1 41.44 19.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -69.21 149.73 97.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 161.21 46.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.63 2.22 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -9.98 27.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.13 114.68 27.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.4 p -99.51 176.35 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -82.46 40.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -141.45 153.36 65.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.573 0.701 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 175.92 7.42 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -111.26 142.25 26.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.836 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -44.36 2.11 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.305 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.62 151.77 49.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 t -114.78 123.47 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.5 mp -82.28 144.36 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.517 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.0 t -65.52 176.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.05 -28.62 9.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -82.91 -70.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.4 t80 -54.84 -28.19 47.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -49.99 -63.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.83 -61.4 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -49.88 -50.08 47.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.55 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 112.25 -28.15 9.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.532 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -106.02 156.65 18.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 45.8 t -143.54 135.19 12.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -2.1 9.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.2 mt -110.89 -15.65 13.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.84 -141.4 47.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -33.1 17.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.626 2.217 . . . . 0.0 112.383 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -61.41 -23.87 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.3 t -43.77 135.57 3.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -26.39 27.37 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -88.56 154.88 19.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -80.24 158.17 26.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 57.6 m170 -126.15 73.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.463 ' OD2' ' CG1' ' A' ' 22' ' ' ILE . 1.7 p30 -92.21 120.78 33.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mm -102.55 96.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -103.1 158.44 16.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.3 -95.74 2.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 139.58 40.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.631 2.22 . . . . 0.0 112.387 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.6 m -67.34 104.94 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -98.17 93.74 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.801 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.519 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -95.28 89.68 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -131.11 111.89 12.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.27 98.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -110.41 150.2 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -138.05 116.22 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.13 117.28 3.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.4 m -59.83 -56.51 20.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.3 p -41.37 142.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -159.54 150.23 15.74 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.621 0.724 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.0 52.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 162.22 42.88 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.389 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.97 34.85 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.143 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 m -67.33 141.36 57.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -83.24 -53.52 5.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' NH1' ' HB ' ' A' ' 20' ' ' THR . 9.4 ptp180 -100.29 142.97 25.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -35.94 11.96 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.738 2.292 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -112.72 142.58 27.4 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.646 0.736 . . . . 0.0 110.785 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.483 ' HG2' HD11 ' A' ' 22' ' ' ILE . 54.1 Cg_endo -69.74 169.01 19.88 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.426 ' HB ' ' NH1' ' A' ' 16' ' ' ARG . 1.8 t -98.15 -15.56 19.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 p -171.31 123.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.0 mp -90.68 145.08 7.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 3.2 t -61.63 176.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.48 -30.73 8.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -83.44 -71.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.753 ' CE1' HD11 ' A' ' 44' ' ' ILE . 1.7 t80 -52.49 -33.1 43.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 t -45.25 -64.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.04 -55.18 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -55.87 -42.66 76.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 102.94 -29.39 12.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 -105.09 156.81 17.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 44.4 t -146.3 135.01 11.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.98 31.94 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.73 2.286 . . . . 0.0 112.311 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 34' ' ' LEU . 21.5 mt -95.54 -17.42 21.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.87 -142.49 47.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.66 23.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.317 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -64.33 -25.52 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.4 t -42.42 134.55 2.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -37.76 8.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.719 2.28 . . . . 0.0 112.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 23' ' ' CYS . 13.4 mt-30 -81.88 146.3 29.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -68.49 168.0 13.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 44.1 m170 -125.57 53.93 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -90.34 102.47 15.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.753 HD11 ' CE1' ' A' ' 26' ' ' PHE . 4.5 mp -78.16 101.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.6 p -90.49 107.01 18.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.02 -176.89 47.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 86.28 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.327 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -143.02 118.23 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 m -50.28 116.28 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.494 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.7 mp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.918 0.389 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.4 t -65.63 175.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -105.05 -29.46 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -85.18 -67.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.9 t80 -55.74 -27.03 48.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -50.92 -64.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.74 -60.23 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -47.65 -53.16 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.483 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.51 -26.21 9.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.502 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -109.78 159.12 17.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.28 135.04 11.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -4.18 13.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 34' ' ' LEU . 19.8 mt -106.99 -12.11 15.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.45 -144.8 45.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HG2' ' NE2' ' A' ' 37' ' ' GLN . 53.8 Cg_endo -69.79 -26.05 27.83 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.409 ' NE2' ' HG2' ' A' ' 36' ' ' PRO . 2.2 mp0 -66.9 -25.59 66.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.2 t -40.99 135.01 1.7 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -21.29 33.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -92.45 149.63 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -74.81 153.25 38.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 52.5 m170 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.5 mp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.902 0.382 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.457 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.0 t -65.43 174.13 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -105.29 -22.05 13.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -91.17 -68.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.3 t80 -55.58 -24.87 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -53.35 -64.4 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.7 -59.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -49.89 -49.08 50.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.421 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 110.22 -26.26 14.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -109.85 159.41 17.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.12 135.03 11.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.03 6.35 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 34' ' ' LEU . 16.8 mt -111.94 -10.38 13.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.4 -146.24 40.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -23.32 31.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -69.07 -24.28 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -42.94 135.12 2.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -19.54 36.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -90.16 164.17 14.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -90.02 146.92 24.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 39.5 m170 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.2 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.9 t -61.6 179.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.75 -23.6 10.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -90.21 -68.01 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.2 t80 -55.63 -27.19 48.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.2 t -50.93 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.99 -58.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -50.47 -55.09 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.504 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 117.2 -27.71 7.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -107.4 158.3 17.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.28 135.15 11.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -1.74 9.02 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 34' ' ' LEU . 18.4 mt -108.99 -20.25 13.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.58 -143.11 43.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.72 23.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.307 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -65.01 -24.94 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.2 t -41.44 135.64 1.92 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -23.87 30.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -93.54 149.02 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -73.32 157.14 37.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 58.9 m170 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.3 mp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.867 0.365 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.9 t -63.53 178.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -109.05 -29.83 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -83.38 -71.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.2 t80 -51.57 -33.88 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.6 t -44.32 -64.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.28 -55.3 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -54.97 -45.73 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.536 ' O ' ' CD1' ' A' ' 26' ' ' PHE . . . 106.49 -29.95 10.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -103.77 157.43 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.0 t -146.22 135.32 11.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -1.35 8.35 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 34' ' ' LEU . 15.6 mt -110.3 -12.38 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.32 -144.97 47.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.58 27.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.39 -24.69 66.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.4 135.6 2.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.11 25.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.29 170.93 14.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -96.61 151.39 19.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.586 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 56.1 m170 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.7 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.881 0.372 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.503 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.8 t -64.41 175.85 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -106.16 -27.53 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -86.3 -66.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.5 t80 -55.99 -26.75 49.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 t -51.5 -64.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.17 -60.42 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -47.95 -52.86 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.06 -26.51 9.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -109.43 158.87 17.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.4 t -146.28 135.04 11.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -5.85 17.19 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.375 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -105.56 -20.03 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.21 -141.12 42.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -33.45 16.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -61.47 -25.97 67.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.5 t -41.03 134.78 1.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.95 37.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.617 2.211 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -97.16 153.28 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -79.42 153.51 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 45.5 m170 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.6 mp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.9 t -64.2 173.47 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -105.57 -22.23 13.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -89.78 -69.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -55.03 -26.9 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -50.14 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.7 -58.04 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -49.52 -53.22 24.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.469 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.8 -27.51 8.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -108.67 158.64 17.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.25 134.98 11.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -1.01 7.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.7 mt -113.38 -18.19 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.39 -141.06 43.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -34.25 14.86 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -60.52 -25.72 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -41.85 134.51 2.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -8.97 24.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.252 . . . . 0.0 112.382 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -105.86 157.13 17.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.2 155.67 27.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 62.9 m170 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.4 mp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.845 0.355 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.528 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.9 t -66.07 172.23 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -104.56 -24.31 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -88.37 -69.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.2 t80 -54.71 -26.42 33.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -51.55 -64.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.6 -59.59 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -48.0 -54.3 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.945 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.34 -25.44 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -110.94 158.57 18.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.775 0.322 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.1 135.06 11.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -1.04 7.77 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 mt -110.85 -13.63 14.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.41 -142.84 47.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HG2' ' NE2' ' A' ' 37' ' ' GLN . 54.0 Cg_endo -69.74 -30.29 22.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' NE2' ' HG2' ' A' ' 36' ' ' PRO . 2.4 mp0 -63.43 -24.9 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.5 t -41.92 135.42 2.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -25.9 28.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.25 . . . . 0.0 112.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.67 153.86 20.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -77.17 159.15 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.576 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 58.4 m170 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 23' ' ' CYS . 3.4 mp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.858 0.361 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.451 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.1 t -65.24 176.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.12 -24.77 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -88.83 -68.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.5 t80 -55.0 -30.07 58.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 t -47.84 -64.59 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.01 -60.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -48.21 -50.03 30.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 111.63 -28.73 9.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -106.86 159.28 16.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.3 t -146.35 135.24 11.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.79 7.43 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.3 mt -112.94 -22.93 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.48 -138.27 33.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -38.55 7.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -58.56 -26.31 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.5 t -38.47 134.91 0.94 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.669 0.747 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -13.51 34.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.384 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -98.91 173.56 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -100.18 145.87 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.568 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 52.4 m170 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.666 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.0 mp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -60.1 174.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.11 -23.65 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -89.73 -68.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.3 t80 -56.47 -26.96 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 t -50.02 -64.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.19 -60.69 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -47.23 -51.53 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 112.73 -26.75 10.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -109.43 158.77 17.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 44.7 t -146.26 134.95 11.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 0.25 5.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.6 mt -113.14 -15.05 12.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.92 -141.87 48.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -31.89 19.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -62.58 -25.25 67.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -40.96 134.98 1.7 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.97 37.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -98.4 163.01 12.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -86.42 156.38 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 57.9 m170 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 23' ' ' CYS . 3.1 mp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.85 0.357 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.467 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.5 t -63.38 175.55 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -105.9 -24.86 12.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -88.76 -70.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 1.8 t80 -53.82 -26.17 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -51.65 -64.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.47 -56.45 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -52.75 -51.01 62.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.462 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 112.6 -29.07 8.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -106.83 158.38 17.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.341 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.8 t -146.27 134.81 10.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.657 0.742 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.54 16.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 34' ' ' LEU . 19.4 mt -106.09 -16.03 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.22 -142.25 47.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -31.65 19.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -62.86 -22.84 66.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.6 t -45.89 135.12 6.56 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.642 0.734 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -19.86 35.48 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 22' ' ' ILE . 37.7 mm-40 -87.59 171.28 10.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -100.87 141.13 34.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 54.5 m170 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.0 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.493 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.8 t -63.25 174.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -107.88 -24.11 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -88.68 -67.73 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.9 t80 -56.75 -25.32 54.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 t -51.56 -64.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.7 -56.97 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -52.44 -51.63 58.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.532 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 113.91 -29.98 7.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -104.27 160.16 15.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 25' ' ' ASN . 50.6 t -146.34 135.4 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -0.32 6.77 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.4 mt -114.33 -6.0 12.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.82 -142.29 30.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.49 18.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -60.38 -24.01 64.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.9 t -45.33 134.81 5.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -32.12 19.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -81.09 155.08 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -78.97 162.88 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 46.2 m170 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.5 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.869 0.366 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.506 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.5 t -64.6 171.25 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.49 -23.49 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -89.98 -69.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.6 t80 -54.2 -29.56 46.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 t -48.69 -64.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.42 -55.49 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -55.92 -44.14 78.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.553 ' O ' ' CG ' ' A' ' 26' ' ' PHE . . . 105.33 -31.01 8.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -102.18 158.66 16.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.4 t -146.27 135.38 11.29 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.29 5.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.1 mt -112.06 -26.3 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.48 -139.97 28.63 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -35.93 11.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -61.21 -26.02 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 t -38.94 135.41 1.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -29.39 24.18 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.661 2.24 . . . . 0.0 112.397 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -87.24 163.85 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -84.98 163.5 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 59.2 m170 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 22' ' ' ILE . 1.8 mp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.85 0.357 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.479 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.7 t -67.07 172.61 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -102.52 -24.14 13.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -86.68 -72.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 5.7 t80 -51.27 -26.36 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 t -51.7 -64.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.26 -61.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -46.47 -45.14 18.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.15 -16.41 53.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -124.26 155.24 38.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.5 t -141.16 134.07 14.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.32 18.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -104.44 -15.77 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.21 -141.83 48.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -31.97 19.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.18 -24.16 67.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 41.9 t -43.64 135.13 3.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.647 0.737 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.74 12.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -113.95 155.03 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -79.97 157.47 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 42.2 m170 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.586 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.3 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.8 t -63.94 176.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -105.7 -28.58 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -84.24 -70.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.3 t80 -53.31 -29.51 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -47.94 -64.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.11 -57.02 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -50.8 -52.51 40.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.43 -29.21 7.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -106.66 158.6 16.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.26 135.18 11.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.611 0.72 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.0 11.14 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -110.23 -22.76 11.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.44 -139.38 35.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.5 10.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -59.73 -25.99 65.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.8 t -40.25 133.38 1.55 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.701 0.762 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.68 33.38 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.266 . . . . 0.0 112.385 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -102.41 151.19 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -78.49 148.04 33.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 41.9 m170 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.1 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.856 0.36 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.504 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.4 t -61.42 175.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -106.47 -29.81 9.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -81.58 -71.15 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 30' ' ' GLY . 1.9 t80 -52.44 -30.46 29.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -47.16 -64.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.2 -54.83 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -54.03 -50.77 65.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.579 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 113.13 -32.25 6.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -102.52 158.75 16.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.6 t -146.34 135.78 11.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.85 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 mt -84.95 -21.24 29.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.435 ' HA3' ' HD2' ' A' ' 36' ' ' PRO . . . 65.77 -138.8 38.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.435 ' HD2' ' HA3' ' A' ' 35' ' ' GLY . 53.4 Cg_endo -69.74 -38.68 7.51 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -56.81 -26.25 57.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.8 t -43.47 134.42 3.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -36.94 9.77 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.405 ' HB3' ' N ' ' A' ' 23' ' ' CYS . 11.2 mm-40 -71.25 169.41 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -99.53 146.47 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.494 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 39.2 m170 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 22' ' ' ILE . 1.5 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.896 0.379 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.475 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 4.6 t -64.35 172.87 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -104.45 -26.76 12.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -87.47 -71.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.5 t80 -52.81 -26.5 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -51.85 -64.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.17 -61.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -45.72 -53.1 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.4 6.05 31.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -145.43 155.62 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.343 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.3 t -146.33 134.46 10.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -5.28 15.87 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.7 mt -98.65 -24.38 15.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 36' ' ' PRO . . . 65.89 -136.88 35.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 35' ' ' GLY . 53.7 Cg_endo -69.8 -39.48 6.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -56.9 -25.31 56.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.9 t -42.08 135.02 2.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -32.23 18.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.305 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 23' ' ' CYS . 14.6 mt-30 -91.91 149.53 21.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -70.97 164.61 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 45.0 m170 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.1 mp . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.921 0.391 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.464 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.7 t -61.34 172.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -107.16 -23.61 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -89.87 -69.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.577 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.2 t80 -54.73 -26.2 32.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t -51.91 -64.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.19 -58.4 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.067 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -50.67 -53.36 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.492 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 115.18 -28.11 8.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -107.0 158.98 16.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.9 t -146.35 135.13 11.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.49 6.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.9 mt -112.69 -18.95 12.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.39 -138.01 42.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.3 8.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -57.35 -24.64 56.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.6 t -43.78 134.71 3.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.655 0.741 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.06 24.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.83 154.52 21.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -79.91 160.05 26.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 49.7 m170 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.7 mp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.8 t -64.16 177.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.85 -37.06 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.446 HD22 ' CD ' ' A' ' 33' ' ' PRO . 98.5 m-20 -78.85 -66.36 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD2' ' ND1' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -54.19 -36.74 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 t -41.99 -63.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.7 -62.08 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -49.99 -38.31 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.607 ' O ' ' CE1' ' A' ' 26' ' ' PHE . . . 96.28 -21.6 44.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -106.88 156.12 19.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.8 t -146.33 135.57 11.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.446 ' CD ' HD22 ' A' ' 25' ' ' ASN . 53.4 Cg_endo -69.8 0.63 5.4 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 34' ' ' LEU . 15.8 mt -113.89 -16.81 12.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.19 -141.62 43.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -35.47 12.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -59.52 -25.67 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.3 t -41.8 135.89 2.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.646 0.736 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -27.36 26.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -87.27 151.44 23.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -77.48 162.16 27.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' A' ' 26' ' ' PHE . 58.3 m170 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.5 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.517 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.0 t -65.52 176.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.05 -28.62 9.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -82.91 -70.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.4 t80 -54.84 -28.19 47.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -49.99 -63.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.83 -61.4 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -49.88 -50.08 47.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.55 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 112.25 -28.15 9.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.532 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -106.02 156.65 18.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 45.8 t -143.54 135.19 12.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -2.1 9.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.2 mt -110.89 -15.65 13.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.84 -141.4 47.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -33.1 17.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.626 2.217 . . . . 0.0 112.383 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -61.41 -23.87 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.3 t -43.77 135.57 3.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -26.39 27.37 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -88.56 154.88 19.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -80.24 158.17 26.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 57.6 m170 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.0 mp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.886 0.374 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 3.2 t -61.63 176.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.48 -30.73 8.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -83.44 -71.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.588 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.7 t80 -52.49 -33.1 43.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 t -45.25 -64.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.04 -55.18 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -55.87 -42.66 76.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 102.94 -29.39 12.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 -105.09 156.81 17.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 44.4 t -146.3 135.01 11.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.98 31.94 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.73 2.286 . . . . 0.0 112.311 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 34' ' ' LEU . 21.5 mt -95.54 -17.42 21.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.87 -142.49 47.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.66 23.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.317 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -64.33 -25.52 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.4 t -42.42 134.55 2.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -37.76 8.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.719 2.28 . . . . 0.0 112.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 23' ' ' CYS . 13.4 mt-30 -81.88 146.3 29.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -68.49 168.0 13.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 44.1 m170 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -74.11 147.6 42.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.4 p -160.66 123.01 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.53 -89.3 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 p -41.99 128.02 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -88.07 45.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.73 124.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.0 t -91.7 52.73 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.1 m -90.67 159.27 16.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 10' ' ' LEU . 1.9 mm? -64.93 154.04 87.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 164.5 34.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' ALA . 53.8 Cg_endo -69.7 2.75 3.22 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' PRO . . . -34.05 -42.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.094 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 m -161.71 131.16 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -73.23 127.37 32.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -57.98 154.46 28.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.38 32.81 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.329 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -97.51 150.46 36.82 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.583 0.706 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 158.35 57.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -88.2 -35.43 17.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 t -174.2 121.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.7 mp -87.24 147.85 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.4 t -65.63 175.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -105.05 -29.46 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -85.18 -67.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.9 t80 -55.74 -27.03 48.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -50.92 -64.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.74 -60.23 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -47.65 -53.16 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.483 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.51 -26.21 9.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.502 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -109.78 159.12 17.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.28 135.04 11.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -4.18 13.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 34' ' ' LEU . 19.8 mt -106.99 -12.11 15.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.45 -144.8 45.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HG2' ' NE2' ' A' ' 37' ' ' GLN . 53.8 Cg_endo -69.79 -26.05 27.83 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.409 ' NE2' ' HG2' ' A' ' 36' ' ' PRO . 2.2 mp0 -66.9 -25.59 66.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.2 t -40.99 135.01 1.7 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -21.29 33.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -92.45 149.63 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -74.81 153.25 38.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 52.5 m170 -123.6 84.77 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -104.64 118.62 37.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.432 HD11 ' CE1' ' A' ' 26' ' ' PHE . 12.6 mm -95.02 100.3 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -84.5 -60.67 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.26 70.08 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 171.93 13.53 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.396 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.2 p -120.61 155.33 33.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -111.48 130.96 55.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.47 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 t -84.22 123.13 29.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 110.827 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -114.32 122.41 46.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.4 -94.47 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -135.79 116.77 14.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -119.23 -47.7 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.25 82.33 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.434 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.7 m -124.63 -58.73 1.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.6 p -167.88 175.36 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.433 ' CD2' ' H ' ' A' ' 10' ' ' LEU . 3.4 mm? -48.33 141.38 9.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.596 0.713 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.12 58.1 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.366 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.69 33.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.49 44.65 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -88.05 156.28 19.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -109.17 157.49 18.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.26 144.44 53.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.61 18.55 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 19' ' ' PRO . 73.8 t60 -89.86 138.57 27.76 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.713 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 53.8 Cg_endo -69.75 176.42 6.78 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.364 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -95.12 -24.35 16.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.436 ' C ' ' OE1' ' A' ' 40' ' ' GLN . 6.0 m -174.11 131.98 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.5 mp -95.12 145.94 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.457 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.0 t -65.43 174.13 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -105.29 -22.05 13.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -91.17 -68.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.3 t80 -55.58 -24.87 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -53.35 -64.4 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.7 -59.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -49.89 -49.08 50.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.421 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 110.22 -26.26 14.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -109.85 159.41 17.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.12 135.03 11.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.03 6.35 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 34' ' ' LEU . 16.8 mt -111.94 -10.38 13.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.4 -146.24 40.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -23.32 31.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -69.07 -24.28 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -42.94 135.12 2.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -19.54 36.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' OE1' ' C ' ' A' ' 21' ' ' SER . 23.0 mm-40 -90.16 164.17 14.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -90.02 146.92 24.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 39.5 m170 -120.25 75.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.63 114.03 27.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.6 mt -111.24 97.71 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -107.35 167.25 10.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.08 -94.93 0.9 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.52 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.365 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.3 p -90.25 89.42 7.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -108.28 152.05 25.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.498 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -144.29 154.97 43.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.844 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -84.25 163.97 19.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.4 143.25 11.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 p -46.73 -53.64 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.7 m -76.39 107.58 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.15 -44.55 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -97.89 -41.47 8.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.8 m -60.64 149.42 35.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.7 pp -39.22 149.92 0.24 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.668 0.747 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 161.48 45.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.632 2.221 . . . . 0.0 112.377 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 175.31 8.3 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.725 2.283 . . . . 0.0 112.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.79 124.45 46.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.0 p -122.44 -48.07 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -112.05 166.31 11.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -107.7 144.03 28.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -4.28 13.69 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.626 2.217 . . . . 0.0 112.383 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -69.3 157.44 89.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 175.45 8.13 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.683 2.256 . . . . 0.0 112.307 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 21' ' ' SER . 9.6 t -82.84 156.66 23.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 20' ' ' THR . 17.4 m -36.74 125.98 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.2 mp -79.69 144.49 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.9 t -61.6 179.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.75 -23.6 10.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -90.21 -68.01 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.2 t80 -55.63 -27.19 48.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.2 t -50.93 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.99 -58.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -50.47 -55.09 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.504 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 117.2 -27.71 7.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -107.4 158.3 17.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.28 135.15 11.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -1.74 9.02 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 34' ' ' LEU . 18.4 mt -108.99 -20.25 13.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.58 -143.11 43.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.72 23.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.307 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -65.01 -24.94 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.2 t -41.44 135.64 1.92 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -23.87 30.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -93.54 149.02 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -73.32 157.14 37.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 58.9 m170 -122.43 86.31 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -101.89 125.74 48.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 26' ' ' PHE . 23.9 mm -95.29 96.65 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 44' ' ' ILE . 70.1 m -34.9 151.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.15 66.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' SER . 53.9 Cg_endo -69.83 -8.8 24.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' SER . 78.2 p -56.37 83.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' PRO . 94.2 p 34.63 47.65 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -102.69 -52.68 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 110.903 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -132.76 115.3 15.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.19 85.86 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m 60.53 45.65 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.38 . . . . 0.0 110.841 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -94.93 151.17 19.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.55 -170.51 20.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -103.39 127.49 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.4 p -98.6 127.99 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.818 ' H ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -74.28 151.48 87.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.6 0.714 . . . . 0.0 110.927 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.75 61.18 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.373 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 111.35 2.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.4 40.81 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.474 ' O ' HG22 ' A' ' 14' ' ' THR . 7.8 m -83.26 39.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -130.1 173.03 11.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 29.6 ttm-85 -153.79 139.62 12.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.571 0.7 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 53.4 Cg_endo -69.79 113.11 3.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -102.5 143.81 27.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.87 15.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.685 HG23 ' HB2' ' A' ' 41' ' ' SER . 4.0 t -63.83 151.38 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' THR . 16.7 m -35.58 127.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.3 mp -84.74 143.37 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.9 t -63.53 178.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -109.05 -29.83 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -83.38 -71.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' A' ' 44' ' ' ILE . 1.2 t80 -51.57 -33.88 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.6 t -44.32 -64.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.28 -55.3 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -54.97 -45.73 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.536 ' O ' ' CD1' ' A' ' 26' ' ' PHE . . . 106.49 -29.95 10.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -103.77 157.43 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.0 t -146.22 135.32 11.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -1.35 8.35 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 34' ' ' LEU . 15.6 mt -110.3 -12.38 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.32 -144.97 47.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.58 27.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.39 -24.69 66.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.4 135.6 2.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.11 25.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.29 170.93 14.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.685 ' HB2' HG23 ' A' ' 20' ' ' THR . 1.2 t -96.61 151.39 19.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.586 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 56.1 m170 -118.72 70.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.21 117.09 34.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.703 HD11 ' CE1' ' A' ' 26' ' ' PHE . 5.0 mp -103.52 107.39 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.4 p -133.45 -175.0 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.21 -157.67 12.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 135.14 29.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.9 p -121.24 120.89 36.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.5 p -113.53 157.48 21.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.499 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -50.36 124.38 10.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -118.76 114.08 22.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.88 -90.74 0.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p -50.73 136.17 22.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 m -119.42 123.34 43.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.12 60.95 2.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.4 m -145.73 108.69 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -85.95 147.13 26.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -168.01 143.98 3.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.642 0.734 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 167.16 25.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.27 . . . . 0.0 112.356 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.14 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.46 120.66 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.669 HG22 ' CD2' ' A' ' 15' ' ' HIS . 54.6 m -79.8 69.56 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.134 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.669 ' CD2' HG22 ' A' ' 14' ' ' THR . 15.8 p80 40.58 27.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 20' ' ' THR . 79.8 mtp180 -137.31 142.74 38.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.64 2.226 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -121.65 146.68 46.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.826 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -33.98 15.56 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.442 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 37.1 p -39.76 160.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -105.02 133.52 49.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.7 mp -71.49 141.98 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.503 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.8 t -64.41 175.85 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -106.16 -27.53 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -86.3 -66.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.5 t80 -55.99 -26.75 49.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 t -51.5 -64.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.17 -60.42 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -47.95 -52.86 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.06 -26.51 9.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -109.43 158.87 17.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.4 t -146.28 135.04 11.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -5.85 17.19 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.375 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -105.56 -20.03 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.21 -141.12 42.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -33.45 16.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -61.47 -25.97 67.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.5 t -41.03 134.78 1.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.95 37.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.617 2.211 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -97.16 153.28 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -79.42 153.51 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 45.5 m170 -121.99 79.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 19.4 t0 -110.4 114.8 28.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 26' ' ' PHE . 47.8 mt -114.02 96.31 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.7 p -58.73 109.91 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.46 -160.72 18.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 87.99 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.276 . . . . 0.0 112.332 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -166.92 164.09 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.1 p -49.04 146.33 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.477 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -99.86 -61.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -63.79 -48.4 77.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.5 70.64 2.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -118.19 41.46 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 p -125.99 166.82 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.1 153.77 17.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m -111.92 47.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.2 m 62.22 50.94 3.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.8 mm? -58.31 148.8 62.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.614 0.721 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.58 65.3 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 113.67 3.45 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.743 2.295 . . . . 0.0 112.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.45 161.42 15.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.8 p -131.23 91.72 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -71.89 -40.33 68.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -146.85 150.86 40.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 0.77 5.2 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -113.1 143.34 28.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.545 0.688 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 171.6 14.13 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.254 . . . . 0.0 112.376 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 22' ' ' ILE . 5.1 t -59.88 150.62 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.8 t -46.2 120.81 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 20' ' ' THR . 2.6 mp -85.74 147.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.9 t -64.2 173.47 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -105.57 -22.23 13.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -89.78 -69.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.2 t80 -55.03 -26.9 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -50.14 -64.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.7 -58.04 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -49.52 -53.22 24.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.469 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.8 -27.51 8.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -108.67 158.64 17.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.25 134.98 11.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -1.01 7.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.7 mt -113.38 -18.19 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.39 -141.06 43.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -34.25 14.86 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -60.52 -25.72 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -41.85 134.51 2.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -8.97 24.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.252 . . . . 0.0 112.382 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -105.86 157.13 17.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.673 ' HB2' HG23 ' A' ' 20' ' ' THR . 1.0 OUTLIER -80.2 155.67 27.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 62.9 m170 -127.04 80.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -99.02 115.94 30.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 26' ' ' PHE . 30.6 mm -96.47 97.12 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 t -90.67 104.68 17.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.72 -171.43 31.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 168.2 22.33 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.8 p -125.4 -44.33 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.2 t -88.25 154.14 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.527 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -105.65 176.38 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -56.36 123.68 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.84 71.02 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -82.26 120.24 25.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -107.45 81.81 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.53 39.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.5 m -52.39 124.98 14.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.2 t -102.04 122.68 44.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.729 HD12 ' H ' ' A' ' 10' ' ' LEU . 3.6 mp -67.33 150.72 97.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.894 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.57 18.56 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.686 2.258 . . . . 0.0 112.388 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 165.88 29.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.13 -57.26 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 t -101.28 126.81 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -105.94 74.43 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -133.51 145.87 58.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.629 0.728 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.87 24.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -111.64 135.01 21.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.734 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 162.59 41.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 t -127.98 -31.79 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.5 t -169.54 111.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.4 mp -72.13 144.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.528 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.9 t -66.07 172.23 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -104.56 -24.31 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -88.37 -69.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.592 ' CD1' HD11 ' A' ' 44' ' ' ILE . 2.2 t80 -54.71 -26.42 33.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -51.55 -64.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.6 -59.59 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -48.0 -54.3 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.945 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.34 -25.44 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -110.94 158.57 18.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.775 0.322 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.1 135.06 11.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -1.04 7.77 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 mt -110.85 -13.63 14.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.41 -142.84 47.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HG2' ' NE2' ' A' ' 37' ' ' GLN . 54.0 Cg_endo -69.74 -30.29 22.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' NE2' ' HG2' ' A' ' 36' ' ' PRO . 2.4 mp0 -63.43 -24.9 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.5 t -41.92 135.42 2.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -25.9 28.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.25 . . . . 0.0 112.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.67 153.86 20.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -77.17 159.15 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.576 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 58.4 m170 -125.59 77.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -88.31 124.9 34.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 26' ' ' PHE . 30.6 mm -105.86 93.66 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.9 t -63.58 129.99 42.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -92.44 -157.22 33.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -172.2 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 2.244 . . . . 0.0 112.335 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 t 62.77 43.42 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 56.3 p -44.03 -58.61 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.465 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -114.83 145.52 42.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -114.7 143.33 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.61 -89.93 0.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -128.99 42.92 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -77.51 -53.49 7.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.56 -143.65 9.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.8 99.97 10.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.5 m -144.45 153.18 41.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' CD1' ' HD2' ' A' ' 11' ' ' PRO . 4.2 mm? -81.25 149.97 66.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.628 0.727 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.422 ' HD2' ' CD1' ' A' ' 10' ' ' LEU . 53.9 Cg_endo -69.73 147.78 63.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.334 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -18.01 37.28 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.722 2.282 . . . . 0.0 112.361 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.25 138.71 9.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.7 m -118.7 -60.49 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.517 ' CD2' ' H ' ' A' ' 15' ' ' HIS . 5.0 p80 -68.2 111.43 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -49.89 142.87 12.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 140.99 44.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -105.89 142.04 23.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 109.53 2.33 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -58.37 -36.58 73.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -159.98 128.43 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 23' ' ' CYS . 3.4 mp -92.53 143.99 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.1 t -65.24 176.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.12 -24.77 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -88.83 -68.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 44' ' ' ILE . 2.5 t80 -55.0 -30.07 58.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 t -47.84 -64.59 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.01 -60.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -48.21 -50.03 30.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 111.63 -28.73 9.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -106.86 159.28 16.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.3 t -146.35 135.24 11.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.79 7.43 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.3 mt -112.94 -22.93 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.48 -138.27 33.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -38.55 7.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -58.56 -26.31 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.5 t -38.47 134.91 0.94 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.669 0.747 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -13.51 34.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.384 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -98.91 173.56 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -100.18 145.87 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.568 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 52.4 m170 -116.58 75.5 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -94.38 110.49 22.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.677 HD11 ' CE1' ' A' ' 26' ' ' PHE . 13.7 mm -83.86 94.07 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.5 p -70.39 136.91 50.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.5 155.32 26.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -14.9 36.99 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.4 p -40.0 112.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.5 p -65.79 -41.13 92.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.494 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -169.83 164.63 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -87.66 -47.54 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.12 88.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -53.33 109.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 p -60.69 -43.39 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.01 123.75 5.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.3 t -99.45 83.47 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.9 p -148.82 145.81 27.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.701 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -125.22 155.53 71.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.08 25.47 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.533 ' O ' HG23 ' A' ' 14' ' ' THR . 53.5 Cg_endo -69.78 -42.83 3.05 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 2.239 . . . . 0.0 112.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.56 91.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 12' ' ' PRO . 40.5 p -95.52 39.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -78.22 -51.84 9.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.421 HH21 ' N ' ' A' ' 48' ' ' SER . 10.8 ptt180 -164.03 150.9 10.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 110.05 2.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.397 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -71.46 150.83 93.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.71 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -172.8 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.313 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -104.55 -33.15 8.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.9 t -169.55 138.6 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.666 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.0 mp -95.3 137.17 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -60.1 174.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.11 -23.65 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -89.73 -68.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.3 t80 -56.47 -26.96 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 t -50.02 -64.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.19 -60.69 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -47.23 -51.53 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 112.73 -26.75 10.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -109.43 158.77 17.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 44.7 t -146.26 134.95 11.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 0.25 5.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.6 mt -113.14 -15.05 12.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.92 -141.87 48.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -31.89 19.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -62.58 -25.25 67.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -40.96 134.98 1.7 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.97 37.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -98.4 163.01 12.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -86.42 156.38 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 57.9 m170 -125.5 78.46 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.836 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -104.87 114.53 28.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mm -91.65 97.91 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 m 60.07 53.67 4.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.98 146.98 44.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 48' ' ' SER . 53.7 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 47' ' ' PRO . 14.8 m -34.76 -52.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -129.2 134.87 48.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.436 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m -82.35 159.36 23.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m -95.38 95.59 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.43 76.38 0.61 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.5 p -114.64 41.88 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 110.846 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 p -84.95 124.3 31.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.9 109.14 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.6 m -69.54 133.96 48.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.342 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.3 m -142.17 161.6 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -141.87 154.11 65.1 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.92 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 153.88 68.47 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -48.7 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.73 83.19 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.073 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -68.43 137.05 54.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -69.47 114.4 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.51 143.14 25.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -50.96 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.637 2.225 . . . . 0.0 112.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -92.07 143.25 27.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -165.63 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.7 ' O ' HD12 ' A' ' 22' ' ' ILE . 14.7 t -56.12 173.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.436 ' C ' ' OE1' ' A' ' 40' ' ' GLN . 51.8 m -42.55 122.11 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 20' ' ' THR . 3.1 mp -90.37 145.72 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.467 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.5 t -63.38 175.55 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -105.9 -24.86 12.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -88.76 -70.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.633 ' CE1' HD11 ' A' ' 44' ' ' ILE . 1.8 t80 -53.82 -26.17 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -51.65 -64.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.47 -56.45 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -52.75 -51.01 62.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.462 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 112.6 -29.07 8.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -106.83 158.38 17.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.341 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.8 t -146.27 134.81 10.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.657 0.742 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.54 16.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 34' ' ' LEU . 19.4 mt -106.09 -16.03 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.22 -142.25 47.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -31.65 19.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -62.86 -22.84 66.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.6 t -45.89 135.12 6.56 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.642 0.734 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -19.86 35.48 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 22' ' ' ILE . 37.7 mm-40 -87.59 171.28 10.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -100.87 141.13 34.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 54.5 m170 -112.06 77.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -95.36 115.69 27.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.633 HD11 ' CE1' ' A' ' 26' ' ' PHE . 49.3 mm -87.5 96.12 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -60.15 -45.84 91.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.2 83.39 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 1.25 4.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 m -56.05 150.85 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.6 p -152.37 137.16 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.478 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 60.47 42.25 14.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.885 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -153.8 173.25 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.16 72.9 2.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -114.84 -45.39 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -98.43 112.59 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.59 -127.76 3.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 m -39.28 134.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.1 m -145.92 162.25 38.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.2 mp -94.59 143.24 25.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 150.81 68.88 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.24 . . . . 0.0 112.385 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 95.46 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.707 2.272 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.49 -57.51 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.1 p -111.3 158.76 18.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -134.43 167.33 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -104.05 137.52 19.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.732 . . . . 0.0 110.819 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 103.57 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.631 2.22 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -66.51 141.6 97.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 175.9 7.49 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -66.95 139.51 57.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 t -86.3 135.11 33.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.0 mp -81.26 145.98 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.493 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.8 t -63.25 174.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -107.88 -24.11 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -88.68 -67.73 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.718 ' O ' HD11 ' A' ' 44' ' ' ILE . 1.9 t80 -56.75 -25.32 54.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 t -51.56 -64.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.7 -56.97 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -52.44 -51.63 58.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.532 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 113.91 -29.98 7.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -104.27 160.16 15.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 25' ' ' ASN . 50.6 t -146.34 135.4 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -0.32 6.77 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.4 mt -114.33 -6.0 12.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.82 -142.29 30.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.49 18.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -60.38 -24.01 64.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.9 t -45.33 134.81 5.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -32.12 19.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -81.09 155.08 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -78.97 162.88 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 46.2 m170 -129.73 77.42 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.96 121.23 33.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.718 HD11 ' O ' ' A' ' 26' ' ' PHE . 45.6 mm -114.7 105.39 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.0 p -151.21 179.07 8.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.96 163.31 12.96 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 122.79 9.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.5 m -98.02 160.16 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -51.8 151.52 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.513 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.6 p -84.41 49.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.8 p -53.96 105.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.52 143.5 37.18 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 m 50.47 41.66 25.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.384 . . . . 0.0 110.906 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -103.83 170.13 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.18 40.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 m -114.55 80.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.3 m -103.3 143.97 31.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.546 HD12 ' H ' ' A' ' 10' ' ' LEU . 3.8 mp -83.52 139.67 41.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.933 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.82 58.35 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.07 28.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.0 40.2 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.418 ' O ' HG23 ' A' ' 14' ' ' THR . 11.3 t -145.04 125.8 14.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -131.09 110.68 11.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.477 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 24.4 ttm180 -91.59 139.45 25.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.825 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 53.7 Cg_endo -69.81 -50.68 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -117.08 151.16 47.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.69 1.23 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.66 HG23 ' HB2' ' A' ' 41' ' ' SER . 7.6 t -99.78 139.24 35.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.5 m -43.71 132.7 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.5 mp -90.77 146.19 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.506 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.5 t -64.6 171.25 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.49 -23.49 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -89.98 -69.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.709 ' CE1' HD11 ' A' ' 44' ' ' ILE . 1.6 t80 -54.2 -29.56 46.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.4 t -48.69 -64.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.42 -55.49 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -55.92 -44.14 78.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.553 ' O ' ' CG ' ' A' ' 26' ' ' PHE . . . 105.33 -31.01 8.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -102.18 158.66 16.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.4 t -146.27 135.38 11.29 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.29 5.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.1 mt -112.06 -26.3 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.48 -139.97 28.63 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -35.93 11.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -61.21 -26.02 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 t -38.94 135.41 1.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -29.39 24.18 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.661 2.24 . . . . 0.0 112.397 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -87.24 163.85 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.66 ' HB2' HG23 ' A' ' 20' ' ' THR . 1.5 t -84.98 163.5 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 59.2 m170 -127.21 78.79 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.46 118.49 36.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.709 HD11 ' CE1' ' A' ' 26' ' ' PHE . 4.9 mp -102.54 99.2 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.5 t -137.74 114.55 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.83 -92.52 2.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -91.34 126.16 36.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.5 p -74.09 136.32 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.488 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m 54.66 42.03 31.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p -91.08 121.69 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.87 101.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 t -157.79 163.17 38.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.884 0.373 . . . . 0.0 110.836 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -79.11 -50.29 11.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.89 -123.12 1.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.6 m -139.45 130.11 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.3 m -124.41 89.32 3.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.749 HD13 ' H ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -75.69 155.98 84.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.936 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 166.81 26.3 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.389 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 150.2 68.29 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.23 -177.81 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -88.55 43.85 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.428 ' C ' ' HD3' ' A' ' 17' ' ' PRO . 19.3 t60 -105.76 109.05 20.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.615 ' N ' ' CD ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 52.07 43.78 1.77 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.848 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 53.9 Cg_endo -69.72 -35.14 13.33 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -84.5 140.88 38.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -12.3 32.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p -72.89 149.85 43.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.4 t -103.91 144.1 31.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 22' ' ' ILE . 1.8 mp -71.41 145.06 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.479 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.7 t -67.07 172.61 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -102.52 -24.14 13.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -86.68 -72.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 5.7 t80 -51.27 -26.36 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 t -51.7 -64.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.26 -61.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -46.47 -45.14 18.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.15 -16.41 53.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -124.26 155.24 38.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.5 t -141.16 134.07 14.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.32 18.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -104.44 -15.77 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.21 -141.83 48.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -31.97 19.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.18 -24.16 67.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 41.9 t -43.64 135.13 3.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.647 0.737 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.74 12.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -113.95 155.03 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -79.97 157.47 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 42.2 m170 -128.26 72.62 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.58 139.57 36.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.7 mm -114.35 107.33 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.4 p -117.66 109.4 16.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -92.12 -77.11 1.35 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 101.85 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.7 t -65.01 -62.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.3 p -91.61 153.52 19.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.442 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -80.79 110.34 16.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -133.94 176.99 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.87 -103.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -123.22 98.7 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -80.83 81.93 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.82 152.22 10.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.3 m -88.89 85.31 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.2 m -67.6 165.28 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 10' ' ' LEU . 2.7 pt? -152.95 146.18 17.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.49 60.41 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 13' ' ' ALA . 53.7 Cg_endo -69.77 2.87 3.15 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.752 2.301 . . . . 0.0 112.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' PRO . . . -34.07 -61.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 m -65.65 113.4 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -44.89 110.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -83.53 138.54 41.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -170.33 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.628 2.219 . . . . 0.0 112.348 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.595 ' CE1' ' CD1' ' A' ' 22' ' ' ILE . 7.2 p80 -106.69 140.38 21.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -16.42 37.75 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.643 2.228 . . . . 0.0 112.371 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.6 p -91.11 172.5 8.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 m -121.43 135.79 55.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.595 ' CD1' ' CE1' ' A' ' 18' ' ' HIS . 2.3 mp -71.53 140.01 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.8 t -63.94 176.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -105.7 -28.58 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -84.24 -70.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.628 ' CE1' HD11 ' A' ' 44' ' ' ILE . 2.3 t80 -53.31 -29.51 34.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -47.94 -64.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.11 -57.02 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -50.8 -52.51 40.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' CE2' ' A' ' 26' ' ' PHE . . . 114.43 -29.21 7.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -106.66 158.6 16.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.0 t -146.26 135.18 11.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.611 0.72 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.0 11.14 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -110.23 -22.76 11.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.44 -139.38 35.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.5 10.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -59.73 -25.99 65.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.8 t -40.25 133.38 1.55 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.701 0.762 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.68 33.38 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.266 . . . . 0.0 112.385 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -102.41 151.19 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -78.49 148.04 33.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 41.9 m170 -116.7 56.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.05 114.52 11.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.628 HD11 ' CE1' ' A' ' 26' ' ' PHE . 49.1 mm -90.09 99.06 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 m -85.0 -60.63 1.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.61 164.82 11.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -22.42 31.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -85.05 129.89 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.6 p -76.39 -24.64 54.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.46 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -171.9 151.51 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -145.35 152.29 39.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 143.38 -149.34 21.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.53 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' GLY . 86.4 p -36.32 -48.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.836 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -167.62 174.09 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.22 -90.35 0.27 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -100.61 93.52 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.323 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.8 m -109.4 124.48 51.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.9 pp -128.91 152.44 79.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 139.24 39.96 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.718 2.279 . . . . 0.0 112.307 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 117.85 5.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.45 93.43 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.5 p -130.39 155.67 46.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -127.59 125.95 41.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -123.88 146.08 49.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.719 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 87.38 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.325 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -71.77 143.83 87.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.556 0.693 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 20' ' ' THR . 53.4 Cg_endo -69.77 161.31 46.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' SER . 8.6 t 34.0 52.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.8 t -33.89 143.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.1 mp -71.34 140.17 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.504 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.4 t -61.42 175.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -106.47 -29.81 9.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -81.58 -71.15 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 30' ' ' GLY . 1.9 t80 -52.44 -30.46 29.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -47.16 -64.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.2 -54.83 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -54.03 -50.77 65.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.579 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 113.13 -32.25 6.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -102.52 158.75 16.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.6 t -146.34 135.78 11.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.85 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 mt -84.95 -21.24 29.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.435 ' HA3' ' HD2' ' A' ' 36' ' ' PRO . . . 65.77 -138.8 38.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.435 ' HD2' ' HA3' ' A' ' 35' ' ' GLY . 53.4 Cg_endo -69.74 -38.68 7.51 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -56.81 -26.25 57.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.8 t -43.47 134.42 3.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -36.94 9.77 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.405 ' HB3' ' N ' ' A' ' 23' ' ' CYS . 11.2 mm-40 -71.25 169.41 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -99.53 146.47 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.494 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 39.2 m170 -114.4 75.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.15 117.08 34.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.84 96.48 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.0 p -62.53 -49.43 75.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.16 147.31 4.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.09 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.4 m -130.59 -70.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m -128.7 42.89 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.812 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.484 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m -93.45 137.41 32.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t -90.89 -55.95 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.43 -128.29 6.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -49.61 132.67 21.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.366 . . . . 0.0 110.883 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -125.5 120.63 31.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.29 -75.35 1.03 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.8 m -50.88 144.03 9.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 p -61.22 172.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.46 142.28 24.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.596 0.712 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.85 51.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.296 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 135.43 30.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.399 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.51 163.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.6 m -107.77 137.69 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' ARG . 21.8 t-80 -64.95 -57.54 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' HIS . 43.5 mtt180 -34.56 146.49 0.15 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.641 0.734 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -46.0 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.248 . . . . 0.0 112.356 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -83.07 140.45 42.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -6.05 17.68 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.361 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t -123.84 153.05 41.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -77.32 126.01 30.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 22' ' ' ILE . 1.5 mp -74.18 147.84 8.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.475 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 4.6 t -64.35 172.87 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -104.45 -26.76 12.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -87.47 -71.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 2.5 t80 -52.81 -26.5 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -51.85 -64.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.17 -61.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -45.72 -53.1 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.4 6.05 31.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -145.43 155.62 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.343 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.3 t -146.33 134.46 10.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -5.28 15.87 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.7 mt -98.65 -24.38 15.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 36' ' ' PRO . . . 65.89 -136.88 35.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 35' ' ' GLY . 53.7 Cg_endo -69.8 -39.48 6.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -56.9 -25.31 56.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.9 t -42.08 135.02 2.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -32.23 18.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.305 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 23' ' ' CYS . 14.6 mt-30 -91.91 149.53 21.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -70.97 164.61 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 45.0 m170 -124.06 90.44 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.65 143.77 37.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.419 HD11 ' CD1' ' A' ' 26' ' ' PHE . 48.9 mm -117.83 105.97 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m 38.34 41.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.92 -168.14 31.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 86.31 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.396 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.2 m -126.87 108.32 10.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.2 p -79.59 -45.8 18.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.498 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -61.4 125.43 23.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -142.48 132.9 25.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.92 -99.92 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -130.41 43.01 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -45.39 -55.76 5.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.25 77.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.8 p -131.27 -39.71 1.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.9 t -41.4 115.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.819 ' H ' HD23 ' A' ' 10' ' ' LEU . 1.2 pt? -69.07 152.57 96.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.729 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 148.21 64.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.82 18.24 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.38 141.36 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.7 p -40.19 -48.87 2.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -61.8 -45.9 91.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 mmt85 -57.14 137.83 80.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.634 0.73 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 0.83 5.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 5.8 t60 -65.68 140.21 97.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.705 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 18' ' ' HIS . 53.3 Cg_endo -69.77 179.24 3.84 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.658 HG23 ' HB2' ' A' ' 41' ' ' SER . 7.1 t -116.07 143.76 45.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.5 m -47.7 127.43 11.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.1 mp -74.24 145.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.464 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.7 t -61.34 172.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -107.16 -23.61 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -89.87 -69.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.577 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.2 t80 -54.73 -26.2 32.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t -51.91 -64.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.19 -58.4 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.067 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -50.67 -53.36 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.723 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 115.18 -28.11 8.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -107.0 158.98 16.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.9 t -146.35 135.13 11.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.49 6.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.9 mt -112.69 -18.95 12.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.39 -138.01 42.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.3 8.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -57.35 -24.64 56.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.6 t -43.78 134.71 3.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.655 0.741 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.06 24.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.83 154.52 21.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.658 ' HB2' HG23 ' A' ' 20' ' ' THR . 2.2 t -79.91 160.05 26.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 49.7 m170 -126.76 78.38 1.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.01 98.42 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.723 HD11 ' HA2' ' A' ' 30' ' ' GLY . 88.8 mt -91.84 100.71 11.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.0 p -160.27 132.58 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.69 -153.69 19.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 176.38 6.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -107.36 -59.85 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.7 p -62.54 -18.54 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.477 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -58.89 -51.71 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.821 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -136.41 172.09 13.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.2 63.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -50.74 -58.5 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.813 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -62.3 -56.65 16.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.55 119.59 0.5 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 m -132.68 147.58 52.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.0 t -116.49 95.13 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 10' ' ' LEU . 2.6 mm? -88.24 152.76 50.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 148.69 65.71 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.382 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 102.03 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.01 140.13 40.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.1 m -105.45 120.46 41.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -167.54 146.48 4.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 37.3 ttp180 -89.85 139.35 27.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 53.3 Cg_endo -69.82 157.38 60.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.304 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -78.54 151.3 77.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.721 . . . . 0.0 110.825 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 122.3 8.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.25 . . . . 0.0 112.363 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 20' ' ' THR . 2.6 t -71.15 -31.07 67.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -169.66 113.7 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.7 mp -73.84 146.73 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.8 t -64.16 177.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.85 -37.06 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.446 HD22 ' CD ' ' A' ' 33' ' ' PRO . 98.5 m-20 -78.85 -66.36 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD2' ' ND1' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -54.19 -36.74 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 t -41.99 -63.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.7 -62.08 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -49.99 -38.31 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.607 ' O ' ' CE1' ' A' ' 26' ' ' PHE . . . 96.28 -21.6 44.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -106.88 156.12 19.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.8 t -146.33 135.57 11.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.446 ' CD ' HD22 ' A' ' 25' ' ' ASN . 53.4 Cg_endo -69.8 0.63 5.4 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 34' ' ' LEU . 15.8 mt -113.89 -16.81 12.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.19 -141.62 43.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -35.47 12.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -59.52 -25.67 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.3 t -41.8 135.89 2.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.646 0.736 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -27.36 26.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -87.27 151.44 23.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -77.48 162.16 27.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' A' ' 26' ' ' PHE . 58.3 m170 -128.72 66.54 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.25 107.2 19.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 44' ' ' ILE . 4.1 mp -99.42 107.27 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.8 p -110.5 127.84 55.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.29 70.17 1.09 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -7.5 21.24 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.301 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -88.09 -44.82 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.3 t -82.46 124.22 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.438 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -102.13 -48.85 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -53.45 126.91 23.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.58 57.54 1.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -67.29 109.64 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 p -132.39 166.12 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.56 128.92 9.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.0 m -85.44 65.59 9.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.747 0.308 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m 49.1 41.44 19.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -69.21 149.73 97.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 161.21 46.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.63 2.22 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -9.98 27.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.13 114.68 27.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.4 p -99.51 176.35 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -82.46 40.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -141.45 153.36 65.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.573 0.701 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 175.92 7.42 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -111.26 142.25 26.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.836 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -44.36 2.11 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.305 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.62 151.77 49.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 t -114.78 123.47 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 23' ' ' CYS . 2.5 mp -82.28 144.36 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.517 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.0 t -65.52 176.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.05 -28.62 9.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -82.91 -70.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 2.4 t80 -54.84 -28.19 47.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -49.99 -63.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.83 -61.4 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -49.88 -50.08 47.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.55 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 112.25 -28.15 9.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.532 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -106.02 156.65 18.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 45.8 t -143.54 135.19 12.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -2.1 9.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.2 mt -110.89 -15.65 13.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.84 -141.4 47.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -33.1 17.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.626 2.217 . . . . 0.0 112.383 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -61.41 -23.87 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.3 t -43.77 135.57 3.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -26.39 27.37 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -88.56 154.88 19.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -80.24 158.17 26.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 57.6 m170 -126.15 73.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.463 ' OD2' ' CG1' ' A' ' 22' ' ' ILE . 1.7 p30 -92.21 120.78 33.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mm -102.55 96.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -103.1 158.44 16.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.3 -95.74 2.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 139.58 40.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.631 2.22 . . . . 0.0 112.387 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.6 m -67.34 104.94 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -98.17 93.74 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.801 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.519 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -95.28 89.68 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -131.11 111.89 12.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.27 98.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -110.41 150.2 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -138.05 116.22 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.13 117.28 3.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.4 m -59.83 -56.51 20.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.3 p -41.37 142.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -159.54 150.23 15.74 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.621 0.724 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.0 52.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 162.22 42.88 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.389 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.97 34.85 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.143 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 m -67.33 141.36 57.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -83.24 -53.52 5.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' NH1' ' HB ' ' A' ' 20' ' ' THR . 9.4 ptp180 -100.29 142.97 25.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -35.94 11.96 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.738 2.292 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -112.72 142.58 27.4 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.646 0.736 . . . . 0.0 110.785 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.483 ' HG2' HD11 ' A' ' 22' ' ' ILE . 54.1 Cg_endo -69.74 169.01 19.88 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.426 ' HB ' ' NH1' ' A' ' 16' ' ' ARG . 1.8 t -98.15 -15.56 19.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 p -171.31 123.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 22' ' ' ILE . 2.0 mp -90.68 145.08 7.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 3.2 t -61.63 176.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.48 -30.73 8.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -83.44 -71.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.753 ' CE1' HD11 ' A' ' 44' ' ' ILE . 1.7 t80 -52.49 -33.1 43.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 t -45.25 -64.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.04 -55.18 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -55.87 -42.66 76.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . 102.94 -29.39 12.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 -105.09 156.81 17.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 44.4 t -146.3 135.01 11.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.98 31.94 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.73 2.286 . . . . 0.0 112.311 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 34' ' ' LEU . 21.5 mt -95.54 -17.42 21.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.87 -142.49 47.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.66 23.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.317 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -64.33 -25.52 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.4 t -42.42 134.55 2.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -37.76 8.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.719 2.28 . . . . 0.0 112.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 23' ' ' CYS . 13.4 mt-30 -81.88 146.3 29.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -68.49 168.0 13.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 26' ' ' PHE . 44.1 m170 -125.57 53.93 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -90.34 102.47 15.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.753 HD11 ' CE1' ' A' ' 26' ' ' PHE . 4.5 mp -78.16 101.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.6 p -90.49 107.01 18.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.02 -176.89 47.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 86.28 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.327 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -143.02 118.23 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 m -50.28 116.28 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.494 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_