data_2emf_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 2emf _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 ' 13' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.807 0.336 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -95.58 154.13 17.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -87.89 116.42 26.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 p -63.42 -15.18 56.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 39.6 mm-40 -79.33 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -98.34 -45.39 6.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.67 19.17 5.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 24.4 tttp -75.77 128.25 34.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.11 121.81 33.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 64.3 m-85 -113.16 140.05 48.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -83.04 3.37 30.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -133.84 131.97 39.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -69.33 -35.94 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.7 p -73.61 -41.25 63.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.2 m -58.59 -49.5 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' HIS . 9.3 tp -57.03 -56.0 27.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.0 m -43.12 -33.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.5 mtm -77.98 -31.73 50.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LEU . 10.0 t60 -73.32 -45.1 57.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -52.33 -24.4 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -59.69 -26.77 65.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 pt -67.45 -25.36 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 92.4 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.463 ' CB ' HD23 ' A' ' 28' ' ' LEU . 36.2 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -94.23 146.25 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.7 t -81.36 118.51 22.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -66.0 -15.74 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 4.9 mm-40 -78.26 -64.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.27 -47.5 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.05 17.96 3.6 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -75.39 130.26 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.02 130.91 41.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 79.9 m-85 -122.1 138.16 54.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 t -85.34 24.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -158.29 111.63 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -49.96 -31.3 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 t -69.94 -54.89 11.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.405 HG21 ' CD1' ' A' ' 22' ' ' PHE . 19.1 m -50.13 -47.92 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' HIS . 16.1 tp -57.29 -57.32 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.7 t -41.71 -33.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.0 mtm -80.57 -32.7 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' A' ' 34' ' ' ILE . 14.0 t60 -72.52 -42.53 64.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.464 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 49.5 mt-30 -55.36 -17.96 5.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -69.33 -11.87 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 31' ' ' HIS . 9.4 pt -77.37 -13.14 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 76.2 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 12.3 m-85 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -98.12 145.61 26.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 36.4 t -78.26 122.52 25.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -71.53 -9.64 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.0 mp0 -85.77 -63.46 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -98.78 -46.18 5.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.03 19.65 4.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -77.79 133.43 38.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.43 121.66 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -112.47 141.87 45.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.3 t -85.78 9.76 15.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -140.42 126.28 19.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.5 tppp? -59.07 -41.01 86.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -68.32 -44.92 74.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.9 m -53.05 -49.0 67.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . 13.3 tp -62.36 -56.93 13.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -45.09 -30.45 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.5 mtm -81.91 -29.67 32.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' HD12 ' A' ' 34' ' ' ILE . 10.2 t60 -76.89 -44.53 31.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.1 mt-30 -53.55 -22.16 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -62.47 -24.11 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.57 HD12 ' CE1' ' A' ' 31' ' ' HIS . 6.5 pt -68.27 -27.79 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.9 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -103.38 138.67 39.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 32.0 t -76.12 112.84 12.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -63.65 -9.23 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.2 mm-40 -84.51 -57.57 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.58 -39.65 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.76 12.39 11.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -71.17 137.59 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.44 133.38 43.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 68.4 m-85 -124.16 135.76 53.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 23' ' ' THR . 53.8 m -78.6 -0.6 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 -133.73 125.67 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -63.38 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 t -74.67 -47.15 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.8 m -57.05 -44.1 82.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -61.83 -49.35 76.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -47.97 -35.62 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.6 mtm -75.23 -31.75 60.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.443 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 13.6 t60 -74.61 -42.28 58.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' CG ' HD12 ' A' ' 28' ' ' LEU . 95.6 mt-30 -54.67 -20.71 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -64.71 -20.18 66.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.407 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 6.4 pt -72.47 -11.95 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.069 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 95.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 2.1 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.882 0.373 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -109.98 146.39 35.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.02 113.02 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.8 p -62.64 -12.07 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 33.7 mm-40 -82.74 -62.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -99.54 -43.48 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.58 23.36 4.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 36.6 tttp -83.38 130.05 35.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.0 117.22 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 34.7 m-85 -106.38 143.91 33.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -89.93 15.21 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -144.83 105.02 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -43.69 -42.84 5.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -65.1 -46.17 82.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.2 m -54.13 -52.77 60.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 12.6 tp -56.41 -48.21 77.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -50.32 -31.2 13.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 mtm -80.2 -28.56 38.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 28.1 t60 -78.24 -44.66 24.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.8 mt-30 -55.99 -14.07 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -71.75 -20.14 61.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.9 pt -79.46 -16.39 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.3 m-85 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.828 0.347 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 20' ' ' LYS . 2.7 tp10 -104.94 141.21 36.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 18.7 t -76.12 115.97 16.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -67.44 -6.43 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 mp0 -87.65 -61.49 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -102.92 -46.14 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.9 19.87 3.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 19.2 tttp -74.84 139.19 43.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' N ' ' OE2' ' A' ' 14' ' ' GLU . . . -101.09 127.34 47.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD2' HD13 ' A' ' 28' ' ' LEU . 96.0 m-85 -121.5 133.33 55.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.464 HG21 ' CD ' ' A' ' 24' ' ' ARG . 9.9 t -76.18 -1.87 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' CD ' HG21 ' A' ' 23' ' ' THR . 0.6 OUTLIER -128.42 149.31 50.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.79 -28.81 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -81.17 -40.15 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -59.99 -37.61 80.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 22' ' ' PHE . 9.7 tp -73.38 -50.16 23.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -44.23 -32.65 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 76.9 mtm -81.16 -33.16 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' HD12 ' A' ' 34' ' ' ILE . 12.2 t60 -70.35 -40.77 73.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -55.95 -16.93 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -69.77 -15.14 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.571 HD12 ' CE1' ' A' ' 31' ' ' HIS . 9.0 pt -74.16 -12.5 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 79.6 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 42.4 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -92.51 136.54 33.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.5 t -64.95 132.94 50.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -86.26 25.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 43.4 mm-40 -125.56 -56.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -106.21 -39.37 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.48 27.3 3.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 37.7 tttm -82.97 125.87 31.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 121.29 32.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 28' ' ' LEU . 59.4 m-85 -109.23 170.54 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 m -107.14 3.77 26.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.172 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -148.05 114.72 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 2.6 tppt? -48.44 -40.45 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 m -60.87 -50.01 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.4 m -53.32 -52.07 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.567 HD12 ' CE1' ' A' ' 22' ' ' PHE . 10.8 tp -57.34 -51.21 70.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -44.02 -35.99 2.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.5 mtt -78.25 -32.93 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' HD12 ' A' ' 34' ' ' ILE . 9.0 t60 -69.5 -43.68 72.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -51.69 -28.23 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -58.01 -11.91 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 31' ' ' HIS . 8.4 pt -79.8 -23.78 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 98.7 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' CB ' HD21 ' A' ' 28' ' ' LEU . 44.9 m-85 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -101.04 148.23 25.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -77.66 120.18 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 m -67.54 -12.58 60.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 8.2 mm-40 -81.31 -64.58 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -101.28 -45.26 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.5 16.39 4.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 4.5 ttpt -70.17 126.88 30.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.61 132.23 36.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 19.2 m-85 -125.62 139.32 53.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.1 m -77.16 -7.41 55.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -127.08 145.05 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.96 -23.88 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 m -78.04 -48.34 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 m -56.52 -44.76 81.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.3 tp -64.41 -52.55 57.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -45.31 -33.64 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mtm -80.15 -30.93 39.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' HD13 ' A' ' 34' ' ' ILE . 9.5 t60 -72.78 -41.55 64.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.402 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.8 mt-30 -56.07 -15.62 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -71.52 -13.43 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 31' ' ' HIS . 8.2 pt -77.5 -11.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 87.9 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 36.3 m-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -107.22 146.54 31.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.1 t -77.9 117.57 19.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.4 m -65.3 -15.2 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.597 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 15.4 mm-40 -78.69 -65.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -98.5 -46.31 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.06 25.21 3.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -81.18 130.89 35.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.9 122.47 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.065 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 85.6 m-85 -111.75 141.42 45.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 p -77.07 0.84 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -139.51 134.69 32.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 17.1 ttmt -66.56 -42.16 87.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -63.71 -47.62 80.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.8 m -53.66 -46.03 70.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' HIS . 6.7 tp -64.41 -54.74 27.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 m -41.91 -33.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mtm -79.21 -33.35 43.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.542 ' CE1' HD12 ' A' ' 34' ' ' ILE . 8.6 t60 -70.84 -40.48 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -55.54 -15.38 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -70.68 -19.43 62.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.542 HD12 ' CE1' ' A' ' 31' ' ' HIS . 7.9 pt -72.35 -8.42 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 96.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 74.8 m-85 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -96.93 143.67 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -77.71 124.08 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.6 p -71.31 -7.75 49.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 10.1 mm-40 -86.97 -63.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -102.23 -44.54 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 13.82 5.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HE2' ' CE1' ' A' ' 31' ' ' HIS . 4.1 ttpt -67.95 132.94 48.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.66 134.06 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 26.2 m-85 -127.78 138.71 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 t -80.92 8.6 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -141.55 135.55 30.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 53.7 tttt -69.33 -38.97 78.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.5 p -69.35 -44.52 71.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -53.74 -49.26 68.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' HIS . 14.3 tp -63.06 -52.06 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -41.76 -33.57 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.6 mtt -80.66 -32.74 36.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CE1' ' HE2' ' A' ' 20' ' ' LYS . 8.4 t60 -70.96 -40.96 71.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -55.39 -17.61 5.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -68.57 -18.41 64.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.548 HD13 ' CE1' ' A' ' 31' ' ' HIS . 8.2 pt -71.77 -11.64 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 89.4 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 25.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -98.61 152.38 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 t -83.45 131.52 35.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -81.03 -3.97 53.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.59 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 74.0 mm-40 -91.34 -58.27 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 p -105.71 -43.0 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.56 20.79 4.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 35.4 tttm -75.2 132.47 41.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.45 125.33 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 80.3 m-85 -116.24 153.78 31.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 t -93.95 13.67 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -155.22 117.22 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 1.8 tppp? -48.7 -38.55 21.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -65.07 -53.87 38.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.7 m -48.25 -42.94 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -66.61 -53.3 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.9 t -44.72 -36.52 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mtm -76.34 -29.28 57.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LEU . 8.9 t60 -74.62 -45.3 45.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -52.68 -24.12 7.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -61.93 -11.77 14.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 7.3 pt -82.47 -17.85 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.59 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 97.3 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -100.99 139.23 36.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -77.63 113.45 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -61.11 -16.2 41.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.5 mm-40 -77.43 -67.29 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -97.56 -43.35 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.2 22.25 4.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 32.3 tttp -76.75 131.81 38.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.48 118.5 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 28' ' ' LEU . 73.5 m-85 -109.8 151.86 26.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -94.41 8.1 43.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -141.37 128.39 20.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -62.25 -41.25 98.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -69.45 -41.93 75.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.4 m -55.74 -49.64 72.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 22' ' ' PHE . 12.8 tp -60.55 -51.19 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 m -42.87 -37.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.5 mtm -73.71 -32.92 64.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 34' ' ' ILE . 12.9 t60 -74.01 -41.47 61.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -55.42 -17.79 5.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -68.47 -14.23 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.562 HD12 ' CE1' ' A' ' 31' ' ' HIS . 5.5 pt -81.55 -10.58 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.5 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -110.27 134.61 52.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -64.53 129.51 40.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -83.42 23.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.9 mm-40 -123.42 -56.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.6 p -106.01 -38.47 6.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.66 23.9 5.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tttp -79.65 137.55 37.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.4 129.1 43.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 76.2 m-85 -121.75 134.07 54.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.8 m -79.78 1.35 27.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -135.59 115.63 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -54.16 -38.44 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -68.29 -46.52 70.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.6 m -54.73 -50.72 67.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.197 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -56.47 -45.62 80.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 t -47.14 -36.78 8.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.9 mtm -75.71 -31.73 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' HD11 ' A' ' 34' ' ' ILE . 21.9 t60 -71.84 -42.34 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -55.52 -17.26 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -69.2 -13.67 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 ' CE1' ' A' ' 31' ' ' HIS . 5.2 pt -82.9 -12.76 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 25' ' ' LYS . 2.8 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -95.65 145.51 25.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -73.23 130.71 40.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -84.15 27.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.4 mm-40 -128.85 -58.19 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -104.18 -35.37 8.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.3 25.27 6.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 37.0 tttp -82.37 128.02 33.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 130.3 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 28' ' ' LEU . 61.1 m-85 -121.73 143.06 49.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -86.35 3.01 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -139.18 104.97 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -48.19 -40.76 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 t -60.47 -45.27 94.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.3 m -61.4 -51.51 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 22' ' ' PHE . 10.4 tp -50.45 -50.33 52.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 t -47.36 -28.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.1 mtm -83.7 -32.53 25.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' HD13 ' A' ' 34' ' ' ILE . 13.3 t60 -74.95 -41.15 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 19.8 mt-30 -55.41 -19.85 10.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -66.8 -15.7 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.563 HD13 ' CE1' ' A' ' 31' ' ' HIS . 7.5 pt -74.95 -11.76 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.798 0.333 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -99.92 143.13 30.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 17.0 t -74.37 114.99 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -68.23 -3.58 11.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.2 mp0 -90.39 -61.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.03 -44.59 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.6 21.14 3.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.458 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 15.2 tttp -80.88 130.04 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.61 131.75 37.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 77.3 m-85 -124.42 137.77 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -84.76 0.66 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -129.41 123.13 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -59.09 -38.73 80.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.3 m -72.59 -41.44 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.5 m -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD11 ' CG ' ' A' ' 32' ' ' GLN . 7.2 tp -64.03 -46.7 83.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -49.33 -33.82 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.8 mtm -79.26 -30.32 43.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' HD11 ' A' ' 34' ' ' ILE . 8.9 t60 -74.79 -42.26 58.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.458 ' CG ' HD11 ' A' ' 28' ' ' LEU . 73.8 mt-30 -55.27 -18.21 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -68.65 -12.73 61.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.7 pt -78.97 -12.21 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 82.3 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -102.71 147.63 26.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 11.4 t -82.14 112.92 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -65.16 -9.75 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp0 -83.95 -61.4 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -102.44 -42.26 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.17 24.07 4.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.542 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.458 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 26.6 tttp -82.95 128.26 34.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.83 118.99 33.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CE1' HD12 ' A' ' 28' ' ' LEU . 43.3 m-85 -109.76 144.22 38.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -3.21 59.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -128.34 116.6 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -53.12 -38.54 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -67.97 -47.33 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -53.67 -50.92 64.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.539 HD12 ' CE1' ' A' ' 22' ' ' PHE . 11.6 tp -60.32 -52.56 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.4 m -47.48 -29.29 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.2 mtt -82.17 -30.65 30.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -75.44 -45.35 39.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' CG ' HD11 ' A' ' 28' ' ' LEU . 34.4 mt-30 -54.75 -19.88 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -66.29 -13.08 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 pt -85.36 -19.9 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 83.8 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.834 0.35 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -100.08 152.42 20.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.6 t -82.66 119.01 23.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -67.34 -12.12 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.514 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 54.5 mm-40 -82.04 -61.67 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -102.32 -45.13 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.26 23.71 3.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tttt -80.42 127.38 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.0 128.76 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 46.0 m-85 -121.66 137.02 54.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.5 t -84.06 11.3 8.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -141.59 113.53 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -50.74 -39.83 53.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -69.33 -44.43 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.3 m -53.89 -48.94 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' HIS . 11.5 tp -61.63 -53.82 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 t -41.07 -36.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.3 mtm -77.89 -33.89 51.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' HD11 ' A' ' 34' ' ' ILE . 11.4 t60 -70.19 -40.84 74.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -54.95 -19.18 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -66.94 -15.53 63.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.561 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.7 pt -76.69 -9.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 95.2 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.413 ' CB ' HD21 ' A' ' 28' ' ' LEU . 59.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -99.26 148.73 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -80.7 115.23 20.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -62.71 -16.62 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.1 mm-40 -77.97 -64.77 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -99.13 -45.14 6.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.52 17.91 5.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -74.75 132.82 41.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.32 130.36 40.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 96.9 m-85 -120.36 142.24 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.9 t -85.91 12.57 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -144.93 127.36 15.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -64.07 -36.94 85.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.0 p -74.03 -37.32 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.8 m -60.83 -49.9 75.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 13' ' ' PHE . 14.9 tp -59.56 -47.69 84.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 m -47.26 -27.89 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.3 mtt -85.64 -30.73 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' HD12 ' A' ' 34' ' ' ILE . 19.7 t60 -75.09 -41.97 57.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.406 ' CG ' HD13 ' A' ' 28' ' ' LEU . 32.0 mt-30 -55.83 -16.29 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -70.43 -14.5 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 31' ' ' HIS . 8.4 pt -76.6 -9.63 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.7 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 51.3 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -99.2 132.24 44.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 t -58.84 126.97 29.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -83.36 22.85 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 49.3 mt-10 -123.98 -52.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 24.9 p -108.62 -38.45 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.86 21.33 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.431 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 25.1 tttt -80.74 124.47 29.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.96 129.66 36.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 59.8 m-85 -122.45 136.82 54.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t -80.68 9.46 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -142.31 110.63 6.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 50.1 tttt -49.81 -42.54 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.5 p -66.11 -41.55 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.2 m -58.12 -54.81 42.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -51.67 -52.5 47.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -44.6 -33.49 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.9 mtt -78.01 -31.16 50.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CE1' HD12 ' A' ' 34' ' ' ILE . 8.7 t60 -72.64 -45.47 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.463 ' CG ' HD11 ' A' ' 28' ' ' LEU . 42.5 mt-30 -49.12 -31.64 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -51.98 -29.95 22.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.529 HD12 ' CE1' ' A' ' 31' ' ' HIS . 5.9 pt -63.08 -29.48 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 90.7 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.9 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.836 0.35 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -105.57 146.04 30.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 t -76.48 114.31 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.4 m -64.96 -7.79 13.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 23.0 mm-40 -87.26 -60.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.69 -41.41 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.34 24.28 5.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -82.95 131.2 35.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.03 128.16 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CE1' HD12 ' A' ' 28' ' ' LEU . 60.4 m-85 -115.18 136.71 52.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.417 ' C ' ' HG3' ' A' ' 24' ' ' ARG . 85.1 m -65.58 -6.13 10.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 23' ' ' THR . 31.0 mtm180 -143.85 137.09 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -70.95 -31.56 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.4 p -68.01 -41.81 81.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 83.4 m -67.99 -29.93 69.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 22' ' ' PHE . 4.7 tp -75.84 -49.65 17.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -42.56 -32.07 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.4 mtm -79.67 -33.26 41.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CE1' HD13 ' A' ' 34' ' ' ILE . 21.1 t60 -69.63 -41.55 75.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.465 ' CG ' HD13 ' A' ' 28' ' ' LEU . 53.5 mt-30 -53.39 -21.56 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -63.36 -24.89 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.548 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.2 pt -68.38 -10.61 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -93.34 129.27 39.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -118.56 -54.15 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.9 176.96 21.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m -121.34 -60.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 m -128.44 83.27 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.53 -155.74 52.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.7 p -93.72 -49.65 5.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 111.137 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.99 -49.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.75 140.73 15.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -89.48 80.97 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 4.2 p-80 -99.41 125.93 45.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -102.63 121.9 43.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -95.58 154.13 17.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -87.89 116.42 26.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 p -63.42 -15.18 56.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 39.6 mm-40 -79.33 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -98.34 -45.39 6.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.67 19.17 5.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 24.4 tttp -75.77 128.25 34.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.11 121.81 33.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 64.3 m-85 -113.16 140.05 48.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -83.04 3.37 30.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -133.84 131.97 39.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -69.33 -35.94 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.7 p -73.61 -41.25 63.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.2 m -58.59 -49.5 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' HIS . 9.3 tp -57.03 -56.0 27.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.0 m -43.12 -33.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.5 mtm -77.98 -31.73 50.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LEU . 10.0 t60 -73.32 -45.1 57.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -52.33 -24.4 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -59.69 -26.77 65.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 pt -67.45 -25.36 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 92.4 m-70 -83.3 -35.93 24.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -91.39 16.0 11.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.41 59.53 0.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LYS . 17.8 mm-40 -117.72 176.94 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' GLU . 8.3 mtmp? -36.33 153.6 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 104.17 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.667 2.244 . . . . 0.0 112.3 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.1 t -71.72 -53.81 12.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.818 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.44 84.68 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 177.01 6.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -144.07 179.39 7.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.1 t -81.31 51.79 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.501 179.99 . . . . . . . . 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 -0.332 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.2 m -105.41 89.81 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.825 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -116.54 106.79 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.25 -100.01 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t 49.43 40.97 20.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -64.29 164.18 11.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.45 162.01 11.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -159.0 156.92 30.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 111.142 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.38 -88.91 0.2 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.48 -113.58 3.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -141.14 113.29 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -117.84 143.94 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.463 ' CB ' HD23 ' A' ' 28' ' ' LEU . 36.2 m-85 -110.6 123.95 50.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -94.23 146.25 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.7 t -81.36 118.51 22.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -66.0 -15.74 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 4.9 mm-40 -78.26 -64.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.27 -47.5 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.05 17.96 3.6 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -75.39 130.26 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.02 130.91 41.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 79.9 m-85 -122.1 138.16 54.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 t -85.34 24.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -158.29 111.63 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -49.96 -31.3 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 t -69.94 -54.89 11.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.405 HG21 ' CD1' ' A' ' 22' ' ' PHE . 19.1 m -50.13 -47.92 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' HIS . 16.1 tp -57.29 -57.32 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.7 t -41.71 -33.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.0 mtm -80.57 -32.7 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' A' ' 34' ' ' ILE . 14.0 t60 -72.52 -42.53 64.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.464 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 49.5 mt-30 -55.36 -17.96 5.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -69.33 -11.87 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 31' ' ' HIS . 9.4 pt -77.37 -13.14 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 76.2 m-70 -109.1 -26.32 10.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLY . 16.6 p -59.11 -39.79 83.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -36.43 -65.14 0.55 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.01 39.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -153.66 149.37 21.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.542 0.687 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 173.9 10.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t 69.51 33.92 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.17 172.7 16.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.4 19.02 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.8 t -61.59 106.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -111.29 121.86 46.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.489 179.976 . . . . . . . . 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 -0.316 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -95.51 84.53 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 110.848 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 p -131.66 81.88 2.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.19 110.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -124.35 97.41 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -167.46 133.61 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -114.53 48.7 0.91 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.7 t 33.66 45.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.13 170.6 52.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.05 123.16 6.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.49 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -74.37 83.66 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -88.89 134.29 34.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 12.3 m-85 -90.5 113.47 25.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -98.12 145.61 26.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 36.4 t -78.26 122.52 25.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -71.53 -9.64 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.0 mp0 -85.77 -63.46 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -98.78 -46.18 5.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.03 19.65 4.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -77.79 133.43 38.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.43 121.66 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -112.47 141.87 45.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.3 t -85.78 9.76 15.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -140.42 126.28 19.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.5 tppp? -59.07 -41.01 86.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -68.32 -44.92 74.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.9 m -53.05 -49.0 67.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . 13.3 tp -62.36 -56.93 13.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -45.09 -30.45 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.5 mtm -81.91 -29.67 32.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' HD12 ' A' ' 34' ' ' ILE . 10.2 t60 -76.89 -44.53 31.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.1 mt-30 -53.55 -22.16 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -62.47 -24.11 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.57 HD12 ' CE1' ' A' ' 31' ' ' HIS . 6.5 pt -68.27 -27.79 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.9 m-70 -83.16 -37.99 22.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 t -101.62 16.03 27.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.15 -176.97 51.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -58.84 156.81 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -126.97 151.57 74.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.641 2.228 . . . . 0.0 112.359 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -59.46 152.06 22.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.69 -158.17 14.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 171.71 13.93 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.1 m -83.56 41.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -41.31 104.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.502 -179.995 . . . . . . . . 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 -0.286 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 t -163.56 129.47 3.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.357 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 p -169.89 126.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.33 108.88 1.53 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 m -62.87 -45.72 91.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 m 61.58 42.09 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.07 56.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -102.73 41.06 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 111.123 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.24 -127.13 5.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.49 -137.97 10.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -110.14 83.46 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -100.49 141.26 33.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.19 129.06 53.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -103.38 138.67 39.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 32.0 t -76.12 112.84 12.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -63.65 -9.23 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.2 mm-40 -84.51 -57.57 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.58 -39.65 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.76 12.39 11.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -71.17 137.59 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.44 133.38 43.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 68.4 m-85 -124.16 135.76 53.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 23' ' ' THR . 53.8 m -78.6 -0.6 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 -133.73 125.67 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -63.38 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 t -74.67 -47.15 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.8 m -57.05 -44.1 82.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -61.83 -49.35 76.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -47.97 -35.62 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.6 mtm -75.23 -31.75 60.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.443 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 13.6 t60 -74.61 -42.28 58.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' CG ' HD12 ' A' ' 28' ' ' LEU . 95.6 mt-30 -54.67 -20.71 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -64.71 -20.18 66.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.407 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 6.4 pt -72.47 -11.95 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.069 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 95.5 m-70 -107.19 -21.05 13.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 p -67.09 -41.23 86.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.18 85.91 1.01 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.62 155.1 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -39.57 153.29 0.19 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.559 0.695 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -27.08 27.0 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.755 2.304 . . . . 0.0 112.323 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -49.76 137.5 16.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.45 158.47 18.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 134.32 27.8 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.656 2.237 . . . . 0.0 112.39 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 p -76.9 -10.32 59.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 t 42.35 45.75 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.492 179.991 . . . . . . . . 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 -0.303 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -85.66 48.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.828 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -79.34 -50.14 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.01 103.3 0.62 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 t -45.9 -48.32 16.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -153.03 127.9 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.92 170.79 19.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.8 m -141.37 130.83 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.175 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.66 171.28 44.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.3 -155.95 30.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 135.11 46.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 21' ' ' ALA . 1.7 t60 -134.26 154.79 51.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 2.1 m-85 -117.66 127.41 53.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -109.98 146.39 35.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.02 113.02 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.8 p -62.64 -12.07 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 33.7 mm-40 -82.74 -62.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -99.54 -43.48 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.58 23.36 4.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 36.6 tttp -83.38 130.05 35.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . . . -97.0 117.22 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.533 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 34.7 m-85 -106.38 143.91 33.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -89.93 15.21 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -144.83 105.02 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -43.69 -42.84 5.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -65.1 -46.17 82.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.2 m -54.13 -52.77 60.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 12.6 tp -56.41 -48.21 77.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -50.32 -31.2 13.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 mtm -80.2 -28.56 38.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 28.1 t60 -78.24 -44.66 24.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.8 mt-30 -55.99 -14.07 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -71.75 -20.14 61.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.9 pt -79.46 -16.39 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.0 m-70 -88.49 -35.58 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -86.17 -32.41 21.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.49 -89.35 1.03 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -108.71 158.7 17.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -48.59 143.31 7.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.69 2.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.9 p -48.51 153.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.64 -66.0 1.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 100.29 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -59.23 155.66 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.1 p -65.99 -9.47 30.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.515 179.988 . . . . . . . . 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 1.45 -0.369 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -148.63 143.86 26.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m -86.7 158.24 19.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.96 89.28 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 t -122.16 110.85 16.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -112.23 144.04 42.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.54 103.14 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.38 73.95 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.48 -55.15 3.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.82 142.18 47.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -126.7 90.94 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -82.67 146.59 29.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.3 m-85 -100.77 125.82 47.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 20' ' ' LYS . 2.7 tp10 -104.94 141.21 36.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 18.7 t -76.12 115.97 16.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -67.44 -6.43 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 mp0 -87.65 -61.49 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -102.92 -46.14 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.9 19.87 3.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 19.2 tttp -74.84 139.19 43.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' N ' ' OE2' ' A' ' 14' ' ' GLU . . . -101.09 127.34 47.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD2' HD13 ' A' ' 28' ' ' LEU . 96.0 m-85 -121.5 133.33 55.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.464 HG21 ' CD ' ' A' ' 24' ' ' ARG . 9.9 t -76.18 -1.87 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' CD ' HG21 ' A' ' 23' ' ' THR . 0.6 OUTLIER -128.42 149.31 50.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.79 -28.81 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -81.17 -40.15 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -59.99 -37.61 80.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 22' ' ' PHE . 9.7 tp -73.38 -50.16 23.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -44.23 -32.65 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 76.9 mtm -81.16 -33.16 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' HD12 ' A' ' 34' ' ' ILE . 12.2 t60 -70.35 -40.77 73.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -55.95 -16.93 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -69.77 -15.14 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.571 HD12 ' CE1' ' A' ' 31' ' ' HIS . 9.0 pt -74.16 -12.5 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 79.6 m-70 -109.89 -29.46 8.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.6 p -59.64 -40.52 87.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.44 -174.84 14.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 57.74 38.84 27.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 41.4 tttp -110.05 138.06 20.69 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.7 173.38 11.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.74 2.293 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 m 64.7 40.63 5.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.3 -71.1 0.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.452 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 85.47 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -134.56 79.63 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.9 t -174.53 162.74 3.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.532 -179.993 . . . . . . . . 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 -0.327 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -101.24 112.54 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -145.35 128.75 16.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.83 132.06 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -90.49 119.23 30.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -152.44 158.88 43.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.7 122.88 0.71 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -100.44 109.55 21.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 111.112 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.81 -146.3 5.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.84 -166.13 19.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -121.49 85.37 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 11.6 p-80 -118.3 124.52 48.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 42.4 m-85 -94.21 114.1 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -92.51 136.54 33.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.5 t -64.95 132.94 50.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -86.26 25.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 43.4 mm-40 -125.56 -56.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -106.21 -39.37 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.48 27.3 3.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 37.7 tttm -82.97 125.87 31.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 121.29 32.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 28' ' ' LEU . 59.4 m-85 -109.23 170.54 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 m -107.14 3.77 26.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.172 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -148.05 114.72 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 2.6 tppt? -48.44 -40.45 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 m -60.87 -50.01 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.4 m -53.32 -52.07 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.567 HD12 ' CE1' ' A' ' 22' ' ' PHE . 10.8 tp -57.34 -51.21 70.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -44.02 -35.99 2.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.5 mtt -78.25 -32.93 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' HD12 ' A' ' 34' ' ' ILE . 9.0 t60 -69.5 -43.68 72.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -51.69 -28.23 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -58.01 -11.91 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 31' ' ' HIS . 8.4 pt -79.8 -23.78 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 98.7 m-70 -88.39 -36.03 16.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t -85.97 -29.96 23.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.88 178.88 15.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -141.26 135.89 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -49.79 155.26 1.52 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.714 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 111.42 2.79 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.3 p -147.01 132.11 18.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.27 -74.61 1.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 124.54 11.16 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.647 2.232 . . . . 0.0 112.351 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.6 p -87.6 148.79 24.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 t -88.26 95.67 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.472 -179.992 . . . . . . . . 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 -0.356 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -135.47 106.35 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.82 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t -102.55 158.26 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.31 114.34 0.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -100.54 131.62 46.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.7 p -142.94 163.55 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.28 43.94 1.8 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.2 p -74.77 163.69 27.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 111.162 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.16 -127.82 9.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.57 -119.84 2.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -105.63 42.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.566 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.7 t60 -66.37 139.14 58.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' CB ' HD21 ' A' ' 28' ' ' LEU . 44.9 m-85 -102.7 116.94 33.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -101.04 148.23 25.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -77.66 120.18 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 m -67.54 -12.58 60.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 8.2 mm-40 -81.31 -64.58 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -101.28 -45.26 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.5 16.39 4.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 4.5 ttpt -70.17 126.88 30.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.566 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -91.61 132.23 36.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 19.2 m-85 -125.62 139.32 53.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.1 m -77.16 -7.41 55.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -127.08 145.05 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.96 -23.88 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 m -78.04 -48.34 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 m -56.52 -44.76 81.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.3 tp -64.41 -52.55 57.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -45.31 -33.64 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mtm -80.15 -30.93 39.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' HD13 ' A' ' 34' ' ' ILE . 9.5 t60 -72.78 -41.55 64.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.8 mt-30 -56.07 -15.62 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -71.52 -13.43 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 31' ' ' HIS . 8.2 pt -77.5 -11.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 87.9 m-70 -108.44 -27.46 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.7 p -64.9 -34.55 78.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.36 -74.14 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -104.39 155.87 18.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -157.48 143.58 12.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.615 0.722 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 138.28 37.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -47.07 172.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.64 89.84 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.33 13.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -68.33 123.43 20.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.7 p -107.73 122.78 47.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.501 -179.993 . . . . . . . . 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 -0.359 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 t -98.84 103.89 15.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -86.38 138.62 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.88 127.1 2.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -143.64 157.75 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -48.73 176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.75 -51.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 t -135.49 146.92 48.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.32 111.33 3.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.97 -125.83 8.05 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -124.9 44.45 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -77.58 136.65 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 36.3 m-85 -99.86 123.96 44.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -107.22 146.54 31.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.1 t -77.9 117.57 19.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.4 m -65.3 -15.2 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.597 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 15.4 mm-40 -78.69 -65.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -98.5 -46.31 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.06 25.21 3.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -81.18 130.89 35.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.562 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . . . -93.9 122.47 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.065 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.6 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 85.6 m-85 -111.75 141.42 45.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 p -77.07 0.84 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -139.51 134.69 32.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 17.1 ttmt -66.56 -42.16 87.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -63.71 -47.62 80.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.8 m -53.66 -46.03 70.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' HIS . 6.7 tp -64.41 -54.74 27.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 m -41.91 -33.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mtm -79.21 -33.35 43.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.542 ' CE1' HD12 ' A' ' 34' ' ' ILE . 8.6 t60 -70.84 -40.48 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -55.54 -15.38 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -70.68 -19.43 62.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.542 HD12 ' CE1' ' A' ' 31' ' ' HIS . 7.9 pt -72.35 -8.42 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 96.7 m-70 -108.93 -31.27 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.6 p -62.43 -40.28 96.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.7 114.65 1.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -59.46 108.75 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -154.66 151.92 24.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.537 0.684 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -2.52 10.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 m -80.73 165.69 21.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.4 168.12 54.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -36.18 11.3 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.3 t -100.06 90.65 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.2 t -156.57 156.9 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.52 -179.923 . . . . . . . . 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 -0.319 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -169.83 131.04 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.883 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -124.81 150.1 46.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.29 86.17 0.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -54.18 143.95 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 t -145.98 147.5 31.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.83 -47.61 0.52 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.2 m -158.67 119.53 3.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.88 -120.43 3.92 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.88 41.79 8.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 mttm 39.6 45.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -79.58 128.0 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 74.8 m-85 -99.87 127.4 46.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -96.93 143.67 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -77.71 124.08 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.6 p -71.31 -7.75 49.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 10.1 mm-40 -86.97 -63.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -102.23 -44.54 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 13.82 5.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HE2' ' CE1' ' A' ' 31' ' ' HIS . 4.1 ttpt -67.95 132.94 48.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.66 134.06 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 26.2 m-85 -127.78 138.71 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 t -80.92 8.6 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -141.55 135.55 30.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 53.7 tttt -69.33 -38.97 78.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.5 p -69.35 -44.52 71.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -53.74 -49.26 68.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' HIS . 14.3 tp -63.06 -52.06 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -41.76 -33.57 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.6 mtt -80.66 -32.74 36.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CE1' ' HE2' ' A' ' 20' ' ' LYS . 8.4 t60 -70.96 -40.96 71.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -55.39 -17.61 5.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -68.57 -18.41 64.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.548 HD13 ' CE1' ' A' ' 31' ' ' HIS . 8.2 pt -71.77 -11.64 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 89.4 m-70 -108.57 -29.95 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -59.21 -41.7 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.33 125.23 5.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -97.66 -44.09 6.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 13.7 tppt? 64.97 50.8 0.89 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.4 Cg_endo -69.75 117.96 5.4 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.386 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m 51.06 53.22 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.83 -176.06 21.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.76 4.15 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 45' ' ' SER . 3.4 t -96.01 114.63 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 44' ' ' SER . 98.2 p -34.66 144.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.478 -179.999 . . . . . . . . 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 -0.303 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -148.0 148.75 31.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 p -101.57 -25.27 13.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.66 78.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.546 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p -89.11 147.95 23.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t 62.6 43.74 7.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.78 116.54 3.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 9' ' ' GLY . 77.4 m -127.19 139.93 52.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 111.146 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 8' ' ' THR . . . -89.09 -102.89 1.03 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.66 -126.25 2.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -67.13 79.27 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' C ' ' CD2' ' A' ' 12' ' ' HIS . 2.0 p-80 -113.2 140.53 47.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 25.2 m-85 -105.96 118.17 35.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -98.61 152.38 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 t -83.45 131.52 35.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -81.03 -3.97 53.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.59 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 74.0 mm-40 -91.34 -58.27 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 p -105.71 -43.0 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.56 20.79 4.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 35.4 tttm -75.2 132.47 41.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.45 125.33 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 80.3 m-85 -116.24 153.78 31.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 t -93.95 13.67 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -155.22 117.22 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 1.8 tppp? -48.7 -38.55 21.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -65.07 -53.87 38.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.7 m -48.25 -42.94 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -66.61 -53.3 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.9 t -44.72 -36.52 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mtm -76.34 -29.28 57.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LEU . 8.9 t60 -74.62 -45.3 45.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -52.68 -24.12 7.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -61.93 -11.77 14.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 7.3 pt -82.47 -17.85 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.59 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 97.3 m-70 -90.74 -38.09 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.6 t -79.49 -33.79 41.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.69 -78.53 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.17 143.06 28.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -130.8 74.31 80.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -45.95 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -152.28 174.8 13.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.86 -168.04 17.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.02 3.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t 53.24 42.46 32.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.7 m -51.39 -45.34 62.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.449 -179.965 . . . . . . . . 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 1.45 -0.37 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 p -130.55 42.39 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -120.17 149.99 41.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.4 67.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -114.72 129.4 56.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -138.73 109.2 6.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.28 115.61 7.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.2 p -71.45 -42.7 67.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.94 143.36 16.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.35 -45.21 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -89.94 42.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -92.81 127.78 38.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -98.1 132.39 43.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -100.99 139.23 36.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -77.63 113.45 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -61.11 -16.2 41.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.5 mm-40 -77.43 -67.29 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -97.56 -43.35 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.2 22.25 4.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 32.3 tttp -76.75 131.81 38.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.48 118.5 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 28' ' ' LEU . 73.5 m-85 -109.8 151.86 26.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -94.41 8.1 43.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -141.37 128.39 20.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -62.25 -41.25 98.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -69.45 -41.93 75.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.4 m -55.74 -49.64 72.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 22' ' ' PHE . 12.8 tp -60.55 -51.19 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 m -42.87 -37.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.5 mtm -73.71 -32.92 64.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 34' ' ' ILE . 12.9 t60 -74.01 -41.47 61.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -55.42 -17.79 5.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -68.47 -14.23 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.562 HD12 ' CE1' ' A' ' 31' ' ' HIS . 5.5 pt -81.55 -10.58 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.5 m-70 -106.4 -21.76 12.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 p -90.0 16.45 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.38 59.87 0.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -155.28 155.86 34.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.389 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -70.07 148.54 96.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.87 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 160.18 50.65 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -155.49 144.48 20.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.51 -102.22 0.17 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 136.74 33.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.8 m -160.74 140.35 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.4 m -101.48 81.9 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.531 -179.977 . . . . . . . . 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 -0.29 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -132.86 141.24 48.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -152.06 153.2 33.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.22 146.67 8.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 t -139.49 109.59 6.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -144.02 158.96 43.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.72 150.98 8.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -121.35 39.21 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.52 152.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 55.11 171.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -97.28 103.77 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.77 0.319 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -98.61 138.78 35.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -101.21 137.16 39.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -110.27 134.61 52.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -64.53 129.51 40.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -83.42 23.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.9 mm-40 -123.42 -56.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.6 p -106.01 -38.47 6.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.66 23.9 5.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tttp -79.65 137.55 37.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.4 129.1 43.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 76.2 m-85 -121.75 134.07 54.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.8 m -79.78 1.35 27.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -135.59 115.63 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -54.16 -38.44 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -68.29 -46.52 70.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.6 m -54.73 -50.72 67.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.197 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -56.47 -45.62 80.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 t -47.14 -36.78 8.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.9 mtm -75.71 -31.73 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' HD11 ' A' ' 34' ' ' ILE . 21.9 t60 -71.84 -42.34 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -55.52 -17.26 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -69.2 -13.67 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 ' CE1' ' A' ' 31' ' ' HIS . 5.2 pt -82.9 -12.76 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.4 m-70 -106.63 -26.27 11.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 p -87.41 14.53 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.72 133.14 44.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -94.08 -59.05 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -107.82 83.24 1.61 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -14.49 36.29 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 t -49.53 160.3 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.44 -87.76 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.25 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' SER . 21.2 m -82.62 81.32 8.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' SER . 50.5 p 34.79 42.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.486 -179.986 . . . . . . . . 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 -0.316 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -148.01 119.39 7.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -111.11 97.96 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.46 -169.73 17.21 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -130.16 155.54 46.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -117.15 -55.16 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.808 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.99 147.2 8.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 t -77.45 -10.94 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 111.124 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.11 64.48 4.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.11 -167.7 16.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -121.05 120.11 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -117.67 133.09 56.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 25' ' ' LYS . 2.8 m-85 -105.71 123.31 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -95.65 145.51 25.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -73.23 130.71 40.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -84.15 27.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.4 mm-40 -128.85 -58.19 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -104.18 -35.37 8.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.3 25.27 6.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 37.0 tttp -82.37 128.02 33.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 130.3 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 28' ' ' LEU . 61.1 m-85 -121.73 143.06 49.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -86.35 3.01 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -139.18 104.97 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -48.19 -40.76 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 t -60.47 -45.27 94.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.3 m -61.4 -51.51 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 22' ' ' PHE . 10.4 tp -50.45 -50.33 52.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 t -47.36 -28.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.1 mtm -83.7 -32.53 25.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' HD13 ' A' ' 34' ' ' ILE . 13.3 t60 -74.95 -41.15 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 19.8 mt-30 -55.41 -19.85 10.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -66.8 -15.7 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.563 HD13 ' CE1' ' A' ' 31' ' ' HIS . 7.5 pt -74.95 -11.76 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -108.66 -24.87 11.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p -66.83 -33.4 75.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -71.78 -61.62 3.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -39.78 -25.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 37' ' ' GLY . 33.0 ttmt -71.04 136.42 84.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -48.48 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -70.98 160.57 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.45 154.68 21.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.91 8.81 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.317 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -84.31 47.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 p -144.98 152.49 40.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.499 -179.986 . . . . . . . . 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 -0.323 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -121.56 155.81 34.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -115.79 143.27 45.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.09 -97.02 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m 60.89 42.56 12.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -59.47 131.97 52.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.25 47.28 0.14 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -158.44 145.09 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.177 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.56 -77.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.38 176.68 39.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -111.11 80.45 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 21' ' ' ALA . 1.8 t60 -111.26 139.82 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -100.93 115.88 31.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -99.92 143.13 30.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 17.0 t -74.37 114.99 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -68.23 -3.58 11.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.2 mp0 -90.39 -61.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.03 -44.59 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.6 21.14 3.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 15.2 tttp -80.88 130.04 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . . . -92.61 131.75 37.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.521 ' N ' ' NE2' ' A' ' 12' ' ' HIS . 77.3 m-85 -124.42 137.77 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -84.76 0.66 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -129.41 123.13 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -59.09 -38.73 80.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.3 m -72.59 -41.44 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.5 m -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD11 ' CG ' ' A' ' 32' ' ' GLN . 7.2 tp -64.03 -46.7 83.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -49.33 -33.82 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.8 mtm -79.26 -30.32 43.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' HD11 ' A' ' 34' ' ' ILE . 8.9 t60 -74.79 -42.26 58.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' CG ' HD11 ' A' ' 28' ' ' LEU . 73.8 mt-30 -55.27 -18.21 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -68.65 -12.73 61.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.7 pt -78.97 -12.21 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 82.3 m-70 -110.0 -19.43 13.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -77.03 -26.39 53.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.44 64.04 4.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 39' ' ' LYS . 6.7 pt-20 -147.02 151.22 36.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' GLU . 60.5 mttt -32.62 96.12 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLU . 53.8 Cg_endo -69.78 148.13 64.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 m -92.42 91.87 7.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.5 170.08 40.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -35.12 13.14 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.631 2.221 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -133.89 174.66 10.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.1 m -101.3 86.53 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.451 -179.969 . . . . . . . . 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 1.451 -0.302 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -122.63 158.88 29.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.828 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 p -93.71 -44.24 8.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.41 87.73 0.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -94.69 42.22 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 m -137.43 133.25 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.88 154.58 25.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -130.91 116.25 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.161 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.02 80.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.0 -179.42 0.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -114.68 123.75 50.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 -109.39 133.3 53.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -98.95 120.83 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -102.71 147.63 26.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 11.4 t -82.14 112.92 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -65.16 -9.75 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp0 -83.95 -61.4 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -102.44 -42.26 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.17 24.07 4.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.542 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 26.6 tttp -82.95 128.26 34.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . . . -95.83 118.99 33.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 43.3 m-85 -109.76 144.22 38.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -3.21 59.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -128.34 116.6 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -53.12 -38.54 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -67.97 -47.33 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -53.67 -50.92 64.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.539 HD12 ' CE1' ' A' ' 22' ' ' PHE . 11.6 tp -60.32 -52.56 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.4 m -47.48 -29.29 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.2 mtt -82.17 -30.65 30.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -75.44 -45.35 39.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' CG ' HD11 ' A' ' 28' ' ' LEU . 34.4 mt-30 -54.75 -19.88 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -66.29 -13.08 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 pt -85.36 -19.9 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 83.8 m-70 -83.87 -34.51 24.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -84.07 -37.22 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.16 107.66 1.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.436 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 2.4 pp20? -46.7 117.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.4 tptt -122.39 91.46 49.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 87.9 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.337 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.1 p -76.13 86.9 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.47 -75.11 0.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -4.6 14.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 t -91.42 -46.6 7.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -159.88 132.85 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.451 -179.971 . . . . . . . . 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 1.452 -0.284 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -92.75 42.46 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -129.23 170.16 13.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.43 -101.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -93.99 88.76 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -66.85 -44.07 81.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.7 100.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 m -79.23 90.99 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.152 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.0 122.46 0.61 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.555 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.91 86.9 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -70.68 113.52 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 21' ' ' ALA . 1.7 t-160 -78.45 127.55 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -99.56 118.81 36.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -100.08 152.42 20.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.6 t -82.66 119.01 23.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -67.34 -12.12 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 54.5 mm-40 -82.04 -61.67 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -102.32 -45.13 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.26 23.71 3.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tttt -80.42 127.38 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . . . -91.0 128.76 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 46.0 m-85 -121.66 137.02 54.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.5 t -84.06 11.3 8.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -141.59 113.53 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -50.74 -39.83 53.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -69.33 -44.43 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.3 m -53.89 -48.94 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' HIS . 11.5 tp -61.63 -53.82 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 t -41.07 -36.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.3 mtm -77.89 -33.89 51.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' HD11 ' A' ' 34' ' ' ILE . 11.4 t60 -70.19 -40.84 74.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -54.95 -19.18 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -66.94 -15.53 63.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.561 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.7 pt -76.69 -9.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 95.2 m-70 -109.45 -30.83 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.3 p -72.32 -41.89 66.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.71 -93.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.51 150.59 47.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.876 0.37 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -95.16 154.28 39.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 167.74 23.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.0 m -117.65 87.92 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.27 167.64 40.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 145.73 57.62 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.278 . . . . 0.0 112.306 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 46' ' ' GLY . 40.1 m -61.43 -56.63 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.7 p -40.38 -27.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 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 -0.26 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m -113.7 106.52 14.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -119.65 130.87 55.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.81 -176.86 26.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t -158.56 140.59 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.399 . . . . 0.0 110.809 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 m -102.45 157.59 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.11 74.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.6 p -70.77 146.78 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.78 152.91 52.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.4 -26.03 4.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt 52.58 46.76 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -67.17 140.54 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' CB ' HD21 ' A' ' 28' ' ' LEU . 59.2 m-85 -102.9 126.43 50.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -99.26 148.73 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -80.7 115.23 20.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -62.71 -16.62 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.1 mm-40 -77.97 -64.77 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -99.13 -45.14 6.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.52 17.91 5.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -74.75 132.82 41.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.32 130.36 40.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 96.9 m-85 -120.36 142.24 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.9 t -85.91 12.57 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -144.93 127.36 15.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -64.07 -36.94 85.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.0 p -74.03 -37.32 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.8 m -60.83 -49.9 75.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 13' ' ' PHE . 14.9 tp -59.56 -47.69 84.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 m -47.26 -27.89 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.3 mtt -85.64 -30.73 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' HD12 ' A' ' 34' ' ' ILE . 19.7 t60 -75.09 -41.97 57.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.406 ' CG ' HD13 ' A' ' 28' ' ' LEU . 32.0 mt-30 -55.83 -16.29 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -70.43 -14.5 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 31' ' ' HIS . 8.4 pt -76.6 -9.63 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.7 m-70 -110.81 14.72 22.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -111.6 17.18 20.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.88 49.48 0.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.85 175.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -112.11 81.42 3.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.541 0.686 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -3.16 11.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -61.11 -50.41 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.68 -166.43 42.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 173.75 10.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.339 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.3 m -131.33 -60.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.4 p -39.6 142.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.498 179.988 . . . . . . . . 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 -0.324 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 m -116.4 90.56 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.922 0.391 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m -86.19 -46.82 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.69 65.94 0.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -82.14 122.27 27.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -79.9 84.19 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.0 158.25 10.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -92.32 38.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 0.0 111.144 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.48 -179.6 16.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.43 74.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.492 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -87.16 40.86 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 4.6 p-80 -77.57 128.24 33.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 51.3 m-85 -97.84 123.09 41.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -99.2 132.24 44.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 t -58.84 126.97 29.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -83.36 22.85 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 49.3 mt-10 -123.98 -52.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 24.9 p -108.62 -38.45 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.86 21.33 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.431 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 25.1 tttt -80.74 124.47 29.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.96 129.66 36.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 59.8 m-85 -122.45 136.82 54.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t -80.68 9.46 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -142.31 110.63 6.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 50.1 tttt -49.81 -42.54 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.5 p -66.11 -41.55 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.2 m -58.12 -54.81 42.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -51.67 -52.5 47.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -44.6 -33.49 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.9 mtt -78.01 -31.16 50.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CE1' HD12 ' A' ' 34' ' ' ILE . 8.7 t60 -72.64 -45.47 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' CG ' HD11 ' A' ' 28' ' ' LEU . 42.5 mt-30 -49.12 -31.64 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -51.98 -29.95 22.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.529 HD12 ' CE1' ' A' ' 31' ' ' HIS . 5.9 pt -63.08 -29.48 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 90.7 m-70 -81.22 -37.56 28.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -97.11 13.73 28.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.97 -91.76 0.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -97.25 133.87 41.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.412 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -145.72 152.73 49.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.74 160.87 48.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 40' ' ' PRO . 14.6 m -34.27 -64.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.75 -169.48 33.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.08 61.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.341 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -113.19 127.89 56.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -141.14 140.24 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.456 -179.993 . . . . . . . . 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 1.451 -0.303 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -89.95 155.24 19.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.379 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 p -89.8 51.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.69 -119.2 0.88 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p -166.89 126.29 1.46 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.3 p -50.16 102.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.99 39.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -116.06 38.66 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.147 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.74 -165.0 10.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.13 123.7 6.69 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -81.75 124.03 29.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.567 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.7 t60 -127.3 139.37 52.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.9 m-85 -105.28 122.0 45.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -105.57 146.04 30.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 t -76.48 114.31 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.4 m -64.96 -7.79 13.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 23.0 mm-40 -87.26 -60.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.69 -41.41 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.34 24.28 5.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -82.95 131.2 35.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -95.03 128.16 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 60.4 m-85 -115.18 136.71 52.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.417 ' C ' ' HG3' ' A' ' 24' ' ' ARG . 85.1 m -65.58 -6.13 10.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 23' ' ' THR . 31.0 mtm180 -143.85 137.09 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -70.95 -31.56 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.4 p -68.01 -41.81 81.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 83.4 m -67.99 -29.93 69.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 22' ' ' PHE . 4.7 tp -75.84 -49.65 17.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -42.56 -32.07 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.4 mtm -79.67 -33.26 41.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CE1' HD13 ' A' ' 34' ' ' ILE . 21.1 t60 -69.63 -41.55 75.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' CG ' HD13 ' A' ' 28' ' ' LEU . 53.5 mt-30 -53.39 -21.56 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -63.36 -24.89 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.548 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.2 pt -68.38 -10.61 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.1 m-70 -107.88 -30.02 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.4 p -62.05 -40.42 95.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.85 -152.84 17.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -103.37 163.89 11.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -86.42 138.16 34.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -17.73 37.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -86.35 137.14 32.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . 91.96 96.47 1.34 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.5 Cg_endo -69.76 -10.45 28.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.3 p -123.09 122.8 39.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.2 p -109.66 85.33 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.081 -0.844 . . . . 0.0 112.472 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.807 0.336 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -95.58 154.13 17.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -87.89 116.42 26.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 p -63.42 -15.18 56.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 39.6 mm-40 -79.33 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -98.34 -45.39 6.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.67 19.17 5.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 24.4 tttp -75.77 128.25 34.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.11 121.81 33.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 64.3 m-85 -113.16 140.05 48.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -83.04 3.37 30.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -133.84 131.97 39.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -69.33 -35.94 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.7 p -73.61 -41.25 63.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.2 m -58.59 -49.5 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' HIS . 9.3 tp -57.03 -56.0 27.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.0 m -43.12 -33.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.5 mtm -77.98 -31.73 50.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.741 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.0 t60 -73.32 -45.1 57.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -52.33 -24.4 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -59.69 -26.77 65.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.3 pt -67.45 -25.36 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 92.4 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.413 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 36.2 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -94.23 146.25 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.7 t -81.36 118.51 22.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -66.0 -15.74 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 4.9 mm-40 -78.26 -64.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.27 -47.5 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.05 17.96 3.6 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -75.39 130.26 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.02 130.91 41.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 79.9 m-85 -122.1 138.16 54.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 t -85.34 24.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -158.29 111.63 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -49.96 -31.3 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 t -69.94 -54.89 11.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m -50.13 -47.92 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' HIS . 16.1 tp -57.29 -57.32 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.7 t -41.71 -33.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.0 mtm -80.57 -32.7 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.818 ' O ' HG23 ' A' ' 34' ' ' ILE . 14.0 t60 -72.52 -42.53 64.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.483 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 49.5 mt-30 -55.36 -17.96 5.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -69.33 -11.87 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.818 HG23 ' O ' ' A' ' 31' ' ' HIS . 9.4 pt -77.37 -13.14 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 76.2 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 12.3 m-85 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -98.12 145.61 26.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 36.4 t -78.26 122.52 25.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -71.53 -9.64 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.0 mp0 -85.77 -63.46 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -98.78 -46.18 5.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.03 19.65 4.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -77.79 133.43 38.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.43 121.66 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD1' HD13 ' A' ' 28' ' ' LEU . 55.3 m-85 -112.47 141.87 45.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.3 t -85.78 9.76 15.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -140.42 126.28 19.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.5 tppp? -59.07 -41.01 86.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -68.32 -44.92 74.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.9 m -53.05 -49.0 67.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . 13.3 tp -62.36 -56.93 13.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -45.09 -30.45 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.5 mtm -81.91 -29.67 32.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.758 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.2 t60 -76.89 -44.53 31.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.1 mt-30 -53.55 -22.16 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -62.47 -24.11 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.5 pt -68.27 -27.79 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.9 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -103.38 138.67 39.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 32.0 t -76.12 112.84 12.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 16' ' ' THR . 16.4 m -63.65 -9.23 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.2 mm-40 -84.51 -57.57 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.58 -39.65 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.76 12.39 11.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -71.17 137.59 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.44 133.38 43.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 68.4 m-85 -124.16 135.76 53.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.638 ' O ' HG22 ' A' ' 23' ' ' THR . 53.8 m -78.6 -0.6 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 -133.73 125.67 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -63.38 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 t -74.67 -47.15 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.8 m -57.05 -44.1 82.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -61.83 -49.35 76.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -47.97 -35.62 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.6 mtm -75.23 -31.75 60.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.741 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.6 t60 -74.61 -42.28 58.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 95.6 mt-30 -54.67 -20.71 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -64.71 -20.18 66.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.4 pt -72.47 -11.95 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.069 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 95.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 2.1 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.882 0.373 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -109.98 146.39 35.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.02 113.02 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.8 p -62.64 -12.07 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 33.7 mm-40 -82.74 -62.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -99.54 -43.48 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.58 23.36 4.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 36.6 tttp -83.38 130.05 35.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.0 117.22 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 28' ' ' LEU . 34.7 m-85 -106.38 143.91 33.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -89.93 15.21 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -144.83 105.02 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -43.69 -42.84 5.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -65.1 -46.17 82.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.2 m -54.13 -52.77 60.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD13 ' CE1' ' A' ' 22' ' ' PHE . 12.6 tp -56.41 -48.21 77.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -50.32 -31.2 13.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 mtm -80.2 -28.56 38.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.524 ' O ' HG23 ' A' ' 34' ' ' ILE . 28.1 t60 -78.24 -44.66 24.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.422 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.8 mt-30 -55.99 -14.07 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -71.75 -20.14 61.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 31' ' ' HIS . 3.9 pt -79.46 -16.39 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 32.0 m80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.3 m-85 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.828 0.347 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 20' ' ' LYS . 2.7 tp10 -104.94 141.21 36.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 18.7 t -76.12 115.97 16.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -67.44 -6.43 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 mp0 -87.65 -61.49 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -102.92 -46.14 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.9 19.87 3.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 19.2 tttp -74.84 139.19 43.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' N ' ' OE2' ' A' ' 14' ' ' GLU . . . -101.09 127.34 47.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 96.0 m-85 -121.5 133.33 55.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.491 HG23 ' CD ' ' A' ' 24' ' ' ARG . 9.9 t -76.18 -1.87 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' CD ' HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -128.42 149.31 50.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.79 -28.81 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -81.17 -40.15 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -59.99 -37.61 80.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' HIS . 9.7 tp -73.38 -50.16 23.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -44.23 -32.65 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 76.9 mtm -81.16 -33.16 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.785 ' O ' HG23 ' A' ' 34' ' ' ILE . 12.2 t60 -70.35 -40.77 73.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.433 HE21 ' HB3' ' A' ' 32' ' ' GLN . 6.3 mt-30 -55.95 -16.93 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -69.77 -15.14 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 31' ' ' HIS . 9.0 pt -74.16 -12.5 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 79.6 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 42.4 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -92.51 136.54 33.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.5 t -64.95 132.94 50.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -86.26 25.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 43.4 mm-40 -125.56 -56.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -106.21 -39.37 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.48 27.3 3.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 37.7 tttm -82.97 125.87 31.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 121.29 32.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CE1' HD13 ' A' ' 28' ' ' LEU . 59.4 m-85 -109.23 170.54 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.543 ' O ' HG22 ' A' ' 23' ' ' THR . 19.1 m -107.14 3.77 26.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.172 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -148.05 114.72 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 2.6 tppt? -48.44 -40.45 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 m -60.87 -50.01 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.4 m -53.32 -52.07 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.544 HD13 ' CE1' ' A' ' 22' ' ' PHE . 10.8 tp -57.34 -51.21 70.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -44.02 -35.99 2.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.5 mtt -78.25 -32.93 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.933 ' O ' HG23 ' A' ' 34' ' ' ILE . 9.0 t60 -69.5 -43.68 72.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -51.69 -28.23 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -58.01 -11.91 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.933 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.4 pt -79.8 -23.78 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 98.7 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -101.04 148.23 25.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -77.66 120.18 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 m -67.54 -12.58 60.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 8.2 mm-40 -81.31 -64.58 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -101.28 -45.26 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.5 16.39 4.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 4.5 ttpt -70.17 126.88 30.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.61 132.23 36.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 19.2 m-85 -125.62 139.32 53.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.488 ' O ' HG22 ' A' ' 23' ' ' THR . 46.1 m -77.16 -7.41 55.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -127.08 145.05 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.96 -23.88 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 m -78.04 -48.34 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 m -56.52 -44.76 81.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.552 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.3 tp -64.41 -52.55 57.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -45.31 -33.64 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mtm -80.15 -30.93 39.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.73 ' O ' HG23 ' A' ' 34' ' ' ILE . 9.5 t60 -72.78 -41.55 64.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.421 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.8 mt-30 -56.07 -15.62 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -71.52 -13.43 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.2 pt -77.5 -11.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.527 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 46.7 m80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 36.3 m-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -107.22 146.54 31.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.1 t -77.9 117.57 19.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.4 m -65.3 -15.2 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 15.4 mm-40 -78.69 -65.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -98.5 -46.31 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.06 25.21 3.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -81.18 130.89 35.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.9 122.47 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.065 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 85.6 m-85 -111.75 141.42 45.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 p -77.07 0.84 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -139.51 134.69 32.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 17.1 ttmt -66.56 -42.16 87.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -63.71 -47.62 80.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.8 m -53.66 -46.03 70.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' HIS . 6.7 tp -64.41 -54.74 27.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 m -41.91 -33.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mtm -79.21 -33.35 43.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.678 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.6 t60 -70.84 -40.48 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -55.54 -15.38 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -70.68 -19.43 62.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.9 pt -72.35 -8.42 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 17' ' ' GLU . 47.6 m80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 74.8 m-85 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -96.93 143.67 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -77.71 124.08 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.6 p -71.31 -7.75 49.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 10.1 mm-40 -86.97 -63.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -102.23 -44.54 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 13.82 5.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HE2' ' CE1' ' A' ' 31' ' ' HIS . 4.1 ttpt -67.95 132.94 48.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.66 134.06 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.753 ' CE1' HD13 ' A' ' 28' ' ' LEU . 26.2 m-85 -127.78 138.71 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 t -80.92 8.6 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -141.55 135.55 30.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 53.7 tttt -69.33 -38.97 78.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.5 p -69.35 -44.52 71.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -53.74 -49.26 68.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.753 HD13 ' CE1' ' A' ' 22' ' ' PHE . 14.3 tp -63.06 -52.06 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -41.76 -33.57 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.6 mtt -80.66 -32.74 36.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.743 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.4 t60 -70.96 -40.96 71.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -55.39 -17.61 5.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -68.57 -18.41 64.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.2 pt -71.77 -11.64 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 46.2 m80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 25.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -98.61 152.38 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 t -83.45 131.52 35.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -81.03 -3.97 53.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.59 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 74.0 mm-40 -91.34 -58.27 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 p -105.71 -43.0 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.56 20.79 4.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 35.4 tttm -75.2 132.47 41.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.45 125.33 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 80.3 m-85 -116.24 153.78 31.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 t -93.95 13.67 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -155.22 117.22 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 1.8 tppp? -48.7 -38.55 21.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -65.07 -53.87 38.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.7 m -48.25 -42.94 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -66.61 -53.3 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.9 t -44.72 -36.52 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mtm -76.34 -29.28 57.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.855 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.9 t60 -74.62 -45.3 45.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -52.68 -24.12 7.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -61.93 -11.77 14.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.855 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.3 pt -82.47 -17.85 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.59 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 97.3 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -100.99 139.23 36.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -77.63 113.45 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -61.11 -16.2 41.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.5 mm-40 -77.43 -67.29 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -97.56 -43.35 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.2 22.25 4.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 32.3 tttp -76.75 131.81 38.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.48 118.5 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CD1' HD13 ' A' ' 28' ' ' LEU . 73.5 m-85 -109.8 151.86 26.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -94.41 8.1 43.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -141.37 128.39 20.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -62.25 -41.25 98.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -69.45 -41.93 75.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.4 m -55.74 -49.64 72.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.8 tp -60.55 -51.19 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 m -42.87 -37.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.5 mtm -73.71 -32.92 64.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.673 ' O ' HG23 ' A' ' 34' ' ' ILE . 12.9 t60 -74.01 -41.47 61.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -55.42 -17.79 5.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -68.47 -14.23 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.673 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.5 pt -81.55 -10.58 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.5 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -110.27 134.61 52.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -64.53 129.51 40.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.519 ' O ' HG22 ' A' ' 16' ' ' THR . 6.8 m -83.42 23.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.9 mm-40 -123.42 -56.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.6 p -106.01 -38.47 6.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.66 23.9 5.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tttp -79.65 137.55 37.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.4 129.1 43.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 76.2 m-85 -121.75 134.07 54.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.607 ' O ' HG22 ' A' ' 23' ' ' THR . 57.8 m -79.78 1.35 27.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -135.59 115.63 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -54.16 -38.44 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -68.29 -46.52 70.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.6 m -54.73 -50.72 67.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.197 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -56.47 -45.62 80.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 t -47.14 -36.78 8.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.9 mtm -75.71 -31.73 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.651 ' O ' HG23 ' A' ' 34' ' ' ILE . 21.9 t60 -71.84 -42.34 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -55.52 -17.26 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -69.2 -13.67 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.2 pt -82.9 -12.76 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 25' ' ' LYS . 2.8 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -95.65 145.51 25.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -73.23 130.71 40.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -84.15 27.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.4 mm-40 -128.85 -58.19 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -104.18 -35.37 8.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.3 25.27 6.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 37.0 tttp -82.37 128.02 33.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 130.3 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' ' 28' ' ' LEU . 61.1 m-85 -121.73 143.06 49.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.694 HG23 ' HG3' ' A' ' 24' ' ' ARG . 14.5 t -86.35 3.01 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.694 ' HG3' HG23 ' A' ' 23' ' ' THR . 70.9 mtm180 -139.18 104.97 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -48.19 -40.76 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 t -60.47 -45.27 94.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.3 m -61.4 -51.51 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 22' ' ' PHE . 10.4 tp -50.45 -50.33 52.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 t -47.36 -28.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.1 mtm -83.7 -32.53 25.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.804 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.3 t60 -74.95 -41.15 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.49 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 19.8 mt-30 -55.41 -19.85 10.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -66.8 -15.7 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.804 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.5 pt -74.95 -11.76 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.798 0.333 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -99.92 143.13 30.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 17.0 t -74.37 114.99 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -68.23 -3.58 11.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.2 mp0 -90.39 -61.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.03 -44.59 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.6 21.14 3.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 15.2 tttp -80.88 130.04 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.61 131.75 37.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 77.3 m-85 -124.42 137.77 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -84.76 0.66 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -129.41 123.13 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -59.09 -38.73 80.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.3 m -72.59 -41.44 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.5 m -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD13 ' CD1' ' A' ' 22' ' ' PHE . 7.2 tp -64.03 -46.7 83.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -49.33 -33.82 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.8 mtm -79.26 -30.32 43.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.754 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.9 t60 -74.79 -42.26 58.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -55.27 -18.21 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -68.65 -12.73 61.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.754 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.7 pt -78.97 -12.21 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 82.3 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -102.71 147.63 26.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' HG ' ' CD ' ' A' ' 17' ' ' GLU . 11.4 t -82.14 112.92 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -65.16 -9.75 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.581 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp0 -83.95 -61.4 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -102.44 -42.26 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.17 24.07 4.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.542 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 26.6 tttp -82.95 128.26 34.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.83 118.99 33.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.619 ' CE1' HD13 ' A' ' 28' ' ' LEU . 43.3 m-85 -109.76 144.22 38.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -3.21 59.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -128.34 116.6 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -53.12 -38.54 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -67.97 -47.33 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -53.67 -50.92 64.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.619 HD13 ' CE1' ' A' ' 22' ' ' PHE . 11.6 tp -60.32 -52.56 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.4 m -47.48 -29.29 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.2 mtt -82.17 -30.65 30.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.7 ' O ' HG23 ' A' ' 34' ' ' ILE . 16.1 t60 -75.44 -45.35 39.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -54.75 -19.88 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -66.29 -13.08 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 31' ' ' HIS . 4.2 pt -85.36 -19.9 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 83.8 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.834 0.35 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -100.08 152.42 20.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.6 t -82.66 119.01 23.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -67.34 -12.12 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 54.5 mm-40 -82.04 -61.67 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -102.32 -45.13 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.26 23.71 3.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tttt -80.42 127.38 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.0 128.76 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 46.0 m-85 -121.66 137.02 54.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.5 t -84.06 11.3 8.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -141.59 113.53 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -50.74 -39.83 53.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -69.33 -44.43 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.3 m -53.89 -48.94 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' HIS . 11.5 tp -61.63 -53.82 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 t -41.07 -36.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.3 mtm -77.89 -33.89 51.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.769 ' O ' HG23 ' A' ' 34' ' ' ILE . 11.4 t60 -70.19 -40.84 74.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -54.95 -19.18 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -66.94 -15.53 63.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.769 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.7 pt -76.69 -9.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 41.8 m80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -99.26 148.73 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -80.7 115.23 20.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -62.71 -16.62 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.97 -64.77 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -99.13 -45.14 6.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.52 17.91 5.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -74.75 132.82 41.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.32 130.36 40.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' HD13 ' A' ' 28' ' ' LEU . 96.9 m-85 -120.36 142.24 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.9 t -85.91 12.57 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -144.93 127.36 15.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -64.07 -36.94 85.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.0 p -74.03 -37.32 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.8 m -60.83 -49.9 75.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 22' ' ' PHE . 14.9 tp -59.56 -47.69 84.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 m -47.26 -27.89 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.3 mtt -85.64 -30.73 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.738 ' O ' HG23 ' A' ' 34' ' ' ILE . 19.7 t60 -75.09 -41.97 57.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.83 -16.29 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -70.43 -14.5 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.738 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.4 pt -76.6 -9.63 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.8 m80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.884 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CE2' ' HE3' ' A' ' 25' ' ' LYS . 51.3 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -99.2 132.24 44.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 t -58.84 126.97 29.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 16' ' ' THR . 3.1 m -83.36 22.85 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 49.3 mt-10 -123.98 -52.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 24.9 p -108.62 -38.45 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.86 21.33 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.431 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 25.1 tttt -80.74 124.47 29.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.96 129.66 36.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.581 ' CE1' HD13 ' A' ' 28' ' ' LEU . 59.8 m-85 -122.45 136.82 54.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t -80.68 9.46 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -142.31 110.63 6.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HE3' ' CE2' ' A' ' 13' ' ' PHE . 50.1 tttt -49.81 -42.54 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.5 p -66.11 -41.55 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.2 m -58.12 -54.81 42.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.581 HD13 ' CE1' ' A' ' 22' ' ' PHE . 9.0 tp -51.67 -52.5 47.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -44.6 -33.49 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.9 mtt -78.01 -31.16 50.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.838 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.7 t60 -72.64 -45.47 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -49.12 -31.64 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -51.98 -29.95 22.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.9 pt -63.08 -29.48 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 90.7 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.9 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.836 0.35 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -105.57 146.04 30.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 t -76.48 114.31 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 16' ' ' THR . 50.4 m -64.96 -7.79 13.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -87.26 -60.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.69 -41.41 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.34 24.28 5.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -82.95 131.2 35.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.03 128.16 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CD1' HD13 ' A' ' 28' ' ' LEU . 60.4 m-85 -115.18 136.71 52.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.542 ' O ' HG22 ' A' ' 23' ' ' THR . 85.1 m -65.58 -6.13 10.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HG3' ' C ' ' A' ' 23' ' ' THR . 31.0 mtm180 -143.85 137.09 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -70.95 -31.56 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.4 p -68.01 -41.81 81.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 83.4 m -67.99 -29.93 69.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' HIS . 4.7 tp -75.84 -49.65 17.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -42.56 -32.07 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.4 mtm -79.67 -33.26 41.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.717 ' O ' HG23 ' A' ' 34' ' ' ILE . 21.1 t60 -69.63 -41.55 75.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -53.39 -21.56 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -63.36 -24.89 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.2 pt -68.38 -10.61 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 m80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -93.34 129.27 39.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -118.56 -54.15 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.9 176.96 21.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m -121.34 -60.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 m -128.44 83.27 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.53 -155.74 52.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.7 p -93.72 -49.65 5.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 111.137 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.99 -49.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.75 140.73 15.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -89.48 80.97 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.431 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 2.7 p80 -99.41 125.93 45.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -102.63 121.9 43.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -95.58 154.13 17.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -87.89 116.42 26.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 p -63.42 -15.18 56.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 39.6 mm-40 -79.33 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -98.34 -45.39 6.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.67 19.17 5.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 24.4 tttp -75.77 128.25 34.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.11 121.81 33.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 64.3 m-85 -113.16 140.05 48.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -83.04 3.37 30.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -133.84 131.97 39.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -69.33 -35.94 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.7 p -73.61 -41.25 63.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.2 m -58.59 -49.5 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' HIS . 9.3 tp -57.03 -56.0 27.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.0 m -43.12 -33.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.5 mtm -77.98 -31.73 50.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.741 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.0 t60 -73.32 -45.1 57.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -52.33 -24.4 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HA ' HG22 ' A' ' 36' ' ' THR . 41.5 mttt -59.69 -26.77 65.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.3 pt -67.45 -25.36 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 92.4 m-70 -83.3 -35.93 24.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 33' ' ' LYS . 15.3 t -91.39 16.0 11.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.41 59.53 0.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LYS . 17.8 mm-40 -117.72 176.94 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' GLU . 8.3 mtmp? -36.33 153.6 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 104.17 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.667 2.244 . . . . 0.0 112.3 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.1 t -71.72 -53.81 12.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.818 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.44 84.68 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 177.01 6.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -144.07 179.39 7.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.1 t -81.31 51.79 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.501 179.99 . . . . . . . . 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 -0.332 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.2 m -105.41 89.81 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.825 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -116.54 106.79 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.25 -100.01 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t 49.43 40.97 20.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -64.29 164.18 11.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.45 162.01 11.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -159.0 156.92 30.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 111.142 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.38 -88.91 0.2 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.48 -113.58 3.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -141.14 113.29 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -117.84 143.94 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 36.2 m-85 -110.6 123.95 50.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -94.23 146.25 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.7 t -81.36 118.51 22.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -66.0 -15.74 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 4.9 mm-40 -78.26 -64.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.27 -47.5 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.05 17.96 3.6 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -75.39 130.26 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.02 130.91 41.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 79.9 m-85 -122.1 138.16 54.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 t -85.34 24.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -158.29 111.63 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -49.96 -31.3 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 t -69.94 -54.89 11.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m -50.13 -47.92 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' HIS . 16.1 tp -57.29 -57.32 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.7 t -41.71 -33.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.0 mtm -80.57 -32.7 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.818 ' O ' HG23 ' A' ' 34' ' ' ILE . 14.0 t60 -72.52 -42.53 64.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.483 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 49.5 mt-30 -55.36 -17.96 5.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -69.33 -11.87 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.818 HG23 ' O ' ' A' ' 31' ' ' HIS . 9.4 pt -77.37 -13.14 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 76.2 m-70 -109.1 -26.32 10.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLY . 16.6 p -59.11 -39.79 83.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -36.43 -65.14 0.55 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.01 39.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -153.66 149.37 21.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.542 0.687 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 173.9 10.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t 69.51 33.92 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.17 172.7 16.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.4 19.02 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.8 t -61.59 106.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -111.29 121.86 46.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.489 179.976 . . . . . . . . 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 -0.316 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -95.51 84.53 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 110.848 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 p -131.66 81.88 2.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.19 110.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -124.35 97.41 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -167.46 133.61 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -114.53 48.7 0.91 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.7 t 33.66 45.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.13 170.6 52.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.05 123.16 6.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.49 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -74.37 83.66 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -88.89 134.29 34.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 12.3 m-85 -90.5 113.47 25.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -98.12 145.61 26.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 36.4 t -78.26 122.52 25.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -71.53 -9.64 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.0 mp0 -85.77 -63.46 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -98.78 -46.18 5.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.03 19.65 4.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -77.79 133.43 38.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.43 121.66 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD1' HD13 ' A' ' 28' ' ' LEU . 55.3 m-85 -112.47 141.87 45.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.3 t -85.78 9.76 15.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -140.42 126.28 19.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.5 tppp? -59.07 -41.01 86.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -68.32 -44.92 74.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.9 m -53.05 -49.0 67.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . 13.3 tp -62.36 -56.93 13.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -45.09 -30.45 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.5 mtm -81.91 -29.67 32.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.758 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.2 t60 -76.89 -44.53 31.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.1 mt-30 -53.55 -22.16 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -62.47 -24.11 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.5 pt -68.27 -27.79 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.9 m-70 -83.16 -37.99 22.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 t -101.62 16.03 27.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.15 -176.97 51.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -58.84 156.81 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -126.97 151.57 74.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.641 2.228 . . . . 0.0 112.359 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -59.46 152.06 22.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.69 -158.17 14.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 171.71 13.93 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.1 m -83.56 41.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -41.31 104.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.502 -179.995 . . . . . . . . 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 -0.286 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 t -163.56 129.47 3.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.357 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 p -169.89 126.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.33 108.88 1.53 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 m -62.87 -45.72 91.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 m 61.58 42.09 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.07 56.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -102.73 41.06 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 111.123 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.24 -127.13 5.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.49 -137.97 10.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -110.14 83.46 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -100.49 141.26 33.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.19 129.06 53.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -103.38 138.67 39.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 32.0 t -76.12 112.84 12.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 16' ' ' THR . 16.4 m -63.65 -9.23 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.2 mm-40 -84.51 -57.57 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.58 -39.65 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.76 12.39 11.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -71.17 137.59 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.44 133.38 43.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 68.4 m-85 -124.16 135.76 53.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.638 ' O ' HG22 ' A' ' 23' ' ' THR . 53.8 m -78.6 -0.6 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 -133.73 125.67 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -63.38 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 t -74.67 -47.15 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.8 m -57.05 -44.1 82.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -61.83 -49.35 76.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -47.97 -35.62 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.6 mtm -75.23 -31.75 60.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.741 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.6 t60 -74.61 -42.28 58.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 95.6 mt-30 -54.67 -20.71 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -64.71 -20.18 66.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.4 pt -72.47 -11.95 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.069 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 95.5 m-70 -107.19 -21.05 13.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 p -67.09 -41.23 86.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.18 85.91 1.01 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.62 155.1 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -39.57 153.29 0.19 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.559 0.695 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -27.08 27.0 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.755 2.304 . . . . 0.0 112.323 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -49.76 137.5 16.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.45 158.47 18.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 134.32 27.8 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.656 2.237 . . . . 0.0 112.39 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 p -76.9 -10.32 59.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 t 42.35 45.75 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.492 179.991 . . . . . . . . 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 -0.303 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -85.66 48.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.828 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -79.34 -50.14 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.01 103.3 0.62 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 t -45.9 -48.32 16.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -153.03 127.9 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.92 170.79 19.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.8 m -141.37 130.83 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.175 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.66 171.28 44.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.3 -155.95 30.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 135.11 46.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.632 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.7 t60 -134.26 154.79 51.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 2.1 m-85 -117.66 127.41 53.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -109.98 146.39 35.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.02 113.02 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.8 p -62.64 -12.07 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 33.7 mm-40 -82.74 -62.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -99.54 -43.48 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.58 23.36 4.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 36.6 tttp -83.38 130.05 35.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.632 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -97.0 117.22 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.533 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 34.7 m-85 -106.38 143.91 33.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -89.93 15.21 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -144.83 105.02 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -43.69 -42.84 5.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -65.1 -46.17 82.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.2 m -54.13 -52.77 60.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD13 ' CE1' ' A' ' 22' ' ' PHE . 12.6 tp -56.41 -48.21 77.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -50.32 -31.2 13.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 mtm -80.2 -28.56 38.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.524 ' O ' HG23 ' A' ' 34' ' ' ILE . 28.1 t60 -78.24 -44.66 24.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.422 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.8 mt-30 -55.99 -14.07 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -71.75 -20.14 61.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 31' ' ' HIS . 3.9 pt -79.46 -16.39 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.0 m-70 -88.49 -35.58 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -86.17 -32.41 21.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.49 -89.35 1.03 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -108.71 158.7 17.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -48.59 143.31 7.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.69 2.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.9 p -48.51 153.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.64 -66.0 1.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 100.29 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -59.23 155.66 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.1 p -65.99 -9.47 30.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.515 179.988 . . . . . . . . 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 1.45 -0.369 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -148.63 143.86 26.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m -86.7 158.24 19.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.96 89.28 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 t -122.16 110.85 16.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -112.23 144.04 42.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.54 103.14 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.38 73.95 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.48 -55.15 3.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.82 142.18 47.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -126.7 90.94 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -82.67 146.59 29.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.3 m-85 -100.77 125.82 47.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 20' ' ' LYS . 2.7 tp10 -104.94 141.21 36.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 18.7 t -76.12 115.97 16.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -67.44 -6.43 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 mp0 -87.65 -61.49 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -102.92 -46.14 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.9 19.87 3.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 19.2 tttp -74.84 139.19 43.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' N ' ' OE2' ' A' ' 14' ' ' GLU . . . -101.09 127.34 47.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 96.0 m-85 -121.5 133.33 55.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.491 HG23 ' CD ' ' A' ' 24' ' ' ARG . 9.9 t -76.18 -1.87 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' CD ' HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -128.42 149.31 50.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.79 -28.81 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -81.17 -40.15 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -59.99 -37.61 80.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' HIS . 9.7 tp -73.38 -50.16 23.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -44.23 -32.65 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 76.9 mtm -81.16 -33.16 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.785 ' O ' HG23 ' A' ' 34' ' ' ILE . 12.2 t60 -70.35 -40.77 73.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.433 HE21 ' HB3' ' A' ' 32' ' ' GLN . 6.3 mt-30 -55.95 -16.93 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -69.77 -15.14 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 31' ' ' HIS . 9.0 pt -74.16 -12.5 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 79.6 m-70 -109.89 -29.46 8.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.6 p -59.64 -40.52 87.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.44 -174.84 14.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 57.74 38.84 27.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 41.4 tttp -110.05 138.06 20.69 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.7 173.38 11.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.74 2.293 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 m 64.7 40.63 5.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.3 -71.1 0.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.452 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 85.47 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -134.56 79.63 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.9 t -174.53 162.74 3.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.532 -179.993 . . . . . . . . 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 -0.327 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -101.24 112.54 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -145.35 128.75 16.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.83 132.06 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -90.49 119.23 30.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -152.44 158.88 43.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.7 122.88 0.71 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -100.44 109.55 21.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 111.112 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.81 -146.3 5.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.84 -166.13 19.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -121.49 85.37 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 9.0 p80 -118.3 124.52 48.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 42.4 m-85 -94.21 114.1 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -92.51 136.54 33.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.5 t -64.95 132.94 50.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -86.26 25.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 43.4 mm-40 -125.56 -56.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -106.21 -39.37 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.48 27.3 3.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 37.7 tttm -82.97 125.87 31.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 121.29 32.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CE1' HD13 ' A' ' 28' ' ' LEU . 59.4 m-85 -109.23 170.54 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.543 ' O ' HG22 ' A' ' 23' ' ' THR . 19.1 m -107.14 3.77 26.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.172 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -148.05 114.72 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 2.6 tppt? -48.44 -40.45 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 m -60.87 -50.01 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.4 m -53.32 -52.07 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.544 HD13 ' CE1' ' A' ' 22' ' ' PHE . 10.8 tp -57.34 -51.21 70.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -44.02 -35.99 2.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.5 mtt -78.25 -32.93 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.933 ' O ' HG23 ' A' ' 34' ' ' ILE . 9.0 t60 -69.5 -43.68 72.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -51.69 -28.23 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HA ' HG22 ' A' ' 36' ' ' THR . 7.4 mtmp? -58.01 -11.91 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.933 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.4 pt -79.8 -23.78 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 98.7 m-70 -88.39 -36.03 16.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 33' ' ' LYS . 5.1 t -85.97 -29.96 23.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.88 178.88 15.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -141.26 135.89 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -49.79 155.26 1.52 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.714 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 111.42 2.79 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.3 p -147.01 132.11 18.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.27 -74.61 1.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 124.54 11.16 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.647 2.232 . . . . 0.0 112.351 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.6 p -87.6 148.79 24.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 t -88.26 95.67 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.472 -179.992 . . . . . . . . 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 -0.356 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -135.47 106.35 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.82 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t -102.55 158.26 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.31 114.34 0.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -100.54 131.62 46.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.7 p -142.94 163.55 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.28 43.94 1.8 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.2 p -74.77 163.69 27.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 111.162 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.16 -127.82 9.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.57 -119.84 2.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -105.63 42.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.7 t60 -66.37 139.14 58.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -102.7 116.94 33.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -101.04 148.23 25.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -77.66 120.18 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 m -67.54 -12.58 60.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 8.2 mm-40 -81.31 -64.58 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -101.28 -45.26 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.5 16.39 4.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 4.5 ttpt -70.17 126.88 30.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -91.61 132.23 36.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 19.2 m-85 -125.62 139.32 53.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 23' ' ' THR . 46.1 m -77.16 -7.41 55.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -127.08 145.05 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.96 -23.88 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 m -78.04 -48.34 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 m -56.52 -44.76 81.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.552 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.3 tp -64.41 -52.55 57.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -45.31 -33.64 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mtm -80.15 -30.93 39.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.73 ' O ' HG23 ' A' ' 34' ' ' ILE . 9.5 t60 -72.78 -41.55 64.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.421 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.8 mt-30 -56.07 -15.62 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -71.52 -13.43 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.2 pt -77.5 -11.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 87.9 m-70 -108.44 -27.46 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.7 p -64.9 -34.55 78.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.36 -74.14 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -104.39 155.87 18.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -157.48 143.58 12.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.615 0.722 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 138.28 37.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -47.07 172.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.64 89.84 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.33 13.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -68.33 123.43 20.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.7 p -107.73 122.78 47.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.501 -179.993 . . . . . . . . 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 -0.359 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 t -98.84 103.89 15.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -86.38 138.62 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.88 127.1 2.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -143.64 157.75 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -48.73 176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.75 -51.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 t -135.49 146.92 48.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.32 111.33 3.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.97 -125.83 8.05 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -124.9 44.45 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -77.58 136.65 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 36.3 m-85 -99.86 123.96 44.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -107.22 146.54 31.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.1 t -77.9 117.57 19.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.4 m -65.3 -15.2 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.597 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 15.4 mm-40 -78.69 -65.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -98.5 -46.31 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.06 25.21 3.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -81.18 130.89 35.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -93.9 122.47 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.065 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.6 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 85.6 m-85 -111.75 141.42 45.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 p -77.07 0.84 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -139.51 134.69 32.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 17.1 ttmt -66.56 -42.16 87.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -63.71 -47.62 80.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.8 m -53.66 -46.03 70.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' HIS . 6.7 tp -64.41 -54.74 27.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 m -41.91 -33.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mtm -79.21 -33.35 43.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.678 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.6 t60 -70.84 -40.48 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -55.54 -15.38 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -70.68 -19.43 62.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.9 pt -72.35 -8.42 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 96.7 m-70 -108.93 -31.27 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.6 p -62.43 -40.28 96.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.7 114.65 1.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -59.46 108.75 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -154.66 151.92 24.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.537 0.684 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -2.52 10.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 m -80.73 165.69 21.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.4 168.12 54.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -36.18 11.3 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.3 t -100.06 90.65 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.2 t -156.57 156.9 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.52 -179.923 . . . . . . . . 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 -0.319 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -169.83 131.04 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.883 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -124.81 150.1 46.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.29 86.17 0.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -54.18 143.95 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 t -145.98 147.5 31.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.83 -47.61 0.52 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.2 m -158.67 119.53 3.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.88 -120.43 3.92 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.88 41.79 8.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 mttm 39.6 45.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -79.58 128.0 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 74.8 m-85 -99.87 127.4 46.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -96.93 143.67 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -77.71 124.08 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.6 p -71.31 -7.75 49.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.559 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 10.1 mm-40 -86.97 -63.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -102.23 -44.54 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 13.82 5.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HE2' ' CE1' ' A' ' 31' ' ' HIS . 4.1 ttpt -67.95 132.94 48.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.66 134.06 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.753 ' CE1' HD13 ' A' ' 28' ' ' LEU . 26.2 m-85 -127.78 138.71 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 t -80.92 8.6 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -141.55 135.55 30.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 53.7 tttt -69.33 -38.97 78.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.5 p -69.35 -44.52 71.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -53.74 -49.26 68.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.753 HD13 ' CE1' ' A' ' 22' ' ' PHE . 14.3 tp -63.06 -52.06 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -41.76 -33.57 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.6 mtt -80.66 -32.74 36.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.743 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.4 t60 -70.96 -40.96 71.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -55.39 -17.61 5.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -68.57 -18.41 64.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.2 pt -71.77 -11.64 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 89.4 m-70 -108.57 -29.95 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -59.21 -41.7 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.33 125.23 5.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -97.66 -44.09 6.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 13.7 tppt? 64.97 50.8 0.89 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.4 Cg_endo -69.75 117.96 5.4 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.386 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m 51.06 53.22 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.83 -176.06 21.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.76 4.15 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 45' ' ' SER . 3.4 t -96.01 114.63 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 44' ' ' SER . 98.2 p -34.66 144.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.478 -179.999 . . . . . . . . 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 -0.303 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -148.0 148.75 31.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 p -101.57 -25.27 13.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.66 78.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.546 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p -89.11 147.95 23.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t 62.6 43.74 7.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.78 116.54 3.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.4 m -127.19 139.93 52.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 111.146 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.09 -102.89 1.03 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.66 -126.25 2.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -67.13 79.27 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -113.2 140.53 47.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 25.2 m-85 -105.96 118.17 35.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -98.61 152.38 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 t -83.45 131.52 35.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -81.03 -3.97 53.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.59 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 74.0 mm-40 -91.34 -58.27 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 p -105.71 -43.0 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.56 20.79 4.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 35.4 tttm -75.2 132.47 41.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.45 125.33 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 80.3 m-85 -116.24 153.78 31.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 t -93.95 13.67 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -155.22 117.22 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 1.8 tppp? -48.7 -38.55 21.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -65.07 -53.87 38.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.7 m -48.25 -42.94 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -66.61 -53.3 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.9 t -44.72 -36.52 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mtm -76.34 -29.28 57.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.855 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.9 t60 -74.62 -45.3 45.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -52.68 -24.12 7.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HA ' HG22 ' A' ' 36' ' ' THR . 48.1 mtmt -61.93 -11.77 14.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.855 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.3 pt -82.47 -17.85 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.59 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 97.3 m-70 -90.74 -38.09 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 33' ' ' LYS . 9.6 t -79.49 -33.79 41.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.69 -78.53 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.17 143.06 28.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -130.8 74.31 80.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -45.95 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -152.28 174.8 13.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.86 -168.04 17.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.02 3.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t 53.24 42.46 32.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.7 m -51.39 -45.34 62.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.449 -179.965 . . . . . . . . 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 1.45 -0.37 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 p -130.55 42.39 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -120.17 149.99 41.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.4 67.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -114.72 129.4 56.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -138.73 109.2 6.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.28 115.61 7.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.2 p -71.45 -42.7 67.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.94 143.36 16.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.35 -45.21 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -89.94 42.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -92.81 127.78 38.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -98.1 132.39 43.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -100.99 139.23 36.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -77.63 113.45 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -61.11 -16.2 41.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.5 mm-40 -77.43 -67.29 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -97.56 -43.35 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.2 22.25 4.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 32.3 tttp -76.75 131.81 38.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.48 118.5 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CD1' HD13 ' A' ' 28' ' ' LEU . 73.5 m-85 -109.8 151.86 26.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -94.41 8.1 43.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -141.37 128.39 20.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -62.25 -41.25 98.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -69.45 -41.93 75.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.4 m -55.74 -49.64 72.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.8 tp -60.55 -51.19 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 m -42.87 -37.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.5 mtm -73.71 -32.92 64.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.673 ' O ' HG23 ' A' ' 34' ' ' ILE . 12.9 t60 -74.01 -41.47 61.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -55.42 -17.79 5.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -68.47 -14.23 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.673 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.5 pt -81.55 -10.58 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.5 m-70 -106.4 -21.76 12.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 p -90.0 16.45 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.38 59.87 0.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -155.28 155.86 34.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.389 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -70.07 148.54 96.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.87 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 160.18 50.65 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -155.49 144.48 20.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.51 -102.22 0.17 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 136.74 33.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.8 m -160.74 140.35 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.4 m -101.48 81.9 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.531 -179.977 . . . . . . . . 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 -0.29 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -132.86 141.24 48.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -152.06 153.2 33.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.22 146.67 8.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 t -139.49 109.59 6.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -144.02 158.96 43.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.72 150.98 8.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 8' ' ' THR . 14.8 t -121.35 39.21 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.52 152.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 55.11 171.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -97.28 103.77 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.77 0.319 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -98.61 138.78 35.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -101.21 137.16 39.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -110.27 134.61 52.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -64.53 129.51 40.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.519 ' O ' HG22 ' A' ' 16' ' ' THR . 6.8 m -83.42 23.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.9 mm-40 -123.42 -56.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.6 p -106.01 -38.47 6.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.66 23.9 5.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tttp -79.65 137.55 37.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.4 129.1 43.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 76.2 m-85 -121.75 134.07 54.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.607 ' O ' HG22 ' A' ' 23' ' ' THR . 57.8 m -79.78 1.35 27.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -135.59 115.63 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -54.16 -38.44 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -68.29 -46.52 70.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.6 m -54.73 -50.72 67.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.197 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -56.47 -45.62 80.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 t -47.14 -36.78 8.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.9 mtm -75.71 -31.73 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.651 ' O ' HG23 ' A' ' 34' ' ' ILE . 21.9 t60 -71.84 -42.34 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -55.52 -17.26 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -69.2 -13.67 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.2 pt -82.9 -12.76 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.4 m-70 -106.63 -26.27 11.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 p -87.41 14.53 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.72 133.14 44.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -94.08 -59.05 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -107.82 83.24 1.61 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -14.49 36.29 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 t -49.53 160.3 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.44 -87.76 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.25 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' SER . 21.2 m -82.62 81.32 8.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' SER . 50.5 p 34.79 42.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.486 -179.986 . . . . . . . . 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 -0.316 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -148.01 119.39 7.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -111.11 97.96 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.46 -169.73 17.21 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -130.16 155.54 46.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -117.15 -55.16 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.808 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.99 147.2 8.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 t -77.45 -10.94 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 111.124 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.11 64.48 4.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.11 -167.7 16.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -121.05 120.11 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -117.67 133.09 56.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 25' ' ' LYS . 2.8 m-85 -105.71 123.31 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -95.65 145.51 25.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -73.23 130.71 40.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -84.15 27.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.4 mm-40 -128.85 -58.19 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -104.18 -35.37 8.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.3 25.27 6.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 37.0 tttp -82.37 128.02 33.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 130.3 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' ' 28' ' ' LEU . 61.1 m-85 -121.73 143.06 49.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.694 HG23 ' HG3' ' A' ' 24' ' ' ARG . 14.5 t -86.35 3.01 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.694 ' HG3' HG23 ' A' ' 23' ' ' THR . 70.9 mtm180 -139.18 104.97 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -48.19 -40.76 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 t -60.47 -45.27 94.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.3 m -61.4 -51.51 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 22' ' ' PHE . 10.4 tp -50.45 -50.33 52.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 t -47.36 -28.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.1 mtm -83.7 -32.53 25.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.804 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.3 t60 -74.95 -41.15 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.49 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 19.8 mt-30 -55.41 -19.85 10.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -66.8 -15.7 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.804 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.5 pt -74.95 -11.76 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -108.66 -24.87 11.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p -66.83 -33.4 75.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -71.78 -61.62 3.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -39.78 -25.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 37' ' ' GLY . 33.0 ttmt -71.04 136.42 84.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -48.48 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -70.98 160.57 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.45 154.68 21.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.91 8.81 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.317 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -84.31 47.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 p -144.98 152.49 40.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.499 -179.986 . . . . . . . . 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 -0.323 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -121.56 155.81 34.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -115.79 143.27 45.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.09 -97.02 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m 60.89 42.56 12.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -59.47 131.97 52.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.25 47.28 0.14 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -158.44 145.09 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.177 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.56 -77.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.38 176.68 39.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -111.11 80.45 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.596 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.8 t60 -111.26 139.82 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -100.93 115.88 31.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -99.92 143.13 30.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 17.0 t -74.37 114.99 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -68.23 -3.58 11.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.2 mp0 -90.39 -61.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.03 -44.59 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.6 21.14 3.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 15.2 tttp -80.88 130.04 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.596 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -92.61 131.75 37.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.521 ' N ' ' NE2' ' A' ' 12' ' ' HIS . 77.3 m-85 -124.42 137.77 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -84.76 0.66 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -129.41 123.13 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -59.09 -38.73 80.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.3 m -72.59 -41.44 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.5 m -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD13 ' CD1' ' A' ' 22' ' ' PHE . 7.2 tp -64.03 -46.7 83.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -49.33 -33.82 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.8 mtm -79.26 -30.32 43.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.754 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.9 t60 -74.79 -42.26 58.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -55.27 -18.21 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -68.65 -12.73 61.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.754 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.7 pt -78.97 -12.21 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 82.3 m-70 -110.0 -19.43 13.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -77.03 -26.39 53.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.44 64.04 4.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 39' ' ' LYS . 6.7 pt-20 -147.02 151.22 36.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' GLU . 60.5 mttt -32.62 96.12 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLU . 53.8 Cg_endo -69.78 148.13 64.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 m -92.42 91.87 7.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.5 170.08 40.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -35.12 13.14 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.631 2.221 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -133.89 174.66 10.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.1 m -101.3 86.53 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.451 -179.969 . . . . . . . . 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 1.451 -0.302 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -122.63 158.88 29.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.828 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 p -93.71 -44.24 8.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.41 87.73 0.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -94.69 42.22 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 m -137.43 133.25 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.88 154.58 25.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 8' ' ' THR . 9.9 t -130.91 116.25 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.161 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.02 80.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.0 -179.42 0.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -114.68 123.75 50.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.7 t60 -109.39 133.3 53.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -98.95 120.83 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -102.71 147.63 26.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 11.4 t -82.14 112.92 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -65.16 -9.75 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.581 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp0 -83.95 -61.4 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -102.44 -42.26 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.17 24.07 4.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.542 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 26.6 tttp -82.95 128.26 34.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.607 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -95.83 118.99 33.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.619 ' CE1' HD13 ' A' ' 28' ' ' LEU . 43.3 m-85 -109.76 144.22 38.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -3.21 59.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -128.34 116.6 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -53.12 -38.54 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -67.97 -47.33 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -53.67 -50.92 64.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.619 HD13 ' CE1' ' A' ' 22' ' ' PHE . 11.6 tp -60.32 -52.56 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.4 m -47.48 -29.29 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.2 mtt -82.17 -30.65 30.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.7 ' O ' HG23 ' A' ' 34' ' ' ILE . 16.1 t60 -75.44 -45.35 39.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -54.75 -19.88 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -66.29 -13.08 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 31' ' ' HIS . 4.2 pt -85.36 -19.9 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 83.8 m-70 -83.87 -34.51 24.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -84.07 -37.22 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.16 107.66 1.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.436 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 2.4 pp20? -46.7 117.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 40.4 tptt -122.39 91.46 49.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.2 Cg_endo -69.79 87.9 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.337 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.1 p -76.13 86.9 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.47 -75.11 0.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -4.6 14.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 t -91.42 -46.6 7.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -159.88 132.85 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.451 -179.971 . . . . . . . . 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 1.452 -0.284 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -92.75 42.46 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -129.23 170.16 13.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.43 -101.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -93.99 88.76 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -66.85 -44.07 81.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.7 100.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 m -79.23 90.99 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.152 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.0 122.46 0.61 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.555 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.91 86.9 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -70.68 113.52 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.706 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.7 t-160 -78.45 127.55 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -99.56 118.81 36.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -100.08 152.42 20.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.6 t -82.66 119.01 23.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -67.34 -12.12 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.524 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 54.5 mm-40 -82.04 -61.67 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -102.32 -45.13 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.26 23.71 3.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tttt -80.42 127.38 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.706 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -91.0 128.76 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 46.0 m-85 -121.66 137.02 54.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.5 t -84.06 11.3 8.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -141.59 113.53 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -50.74 -39.83 53.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -69.33 -44.43 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.3 m -53.89 -48.94 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' HIS . 11.5 tp -61.63 -53.82 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 t -41.07 -36.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.3 mtm -77.89 -33.89 51.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.769 ' O ' HG23 ' A' ' 34' ' ' ILE . 11.4 t60 -70.19 -40.84 74.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -54.95 -19.18 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -66.94 -15.53 63.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.769 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.7 pt -76.69 -9.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 95.2 m-70 -109.45 -30.83 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.3 p -72.32 -41.89 66.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.71 -93.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.51 150.59 47.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.876 0.37 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -95.16 154.28 39.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 167.74 23.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.0 m -117.65 87.92 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.27 167.64 40.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 145.73 57.62 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.278 . . . . 0.0 112.306 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 46' ' ' GLY . 40.1 m -61.43 -56.63 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.7 p -40.38 -27.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 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 -0.26 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m -113.7 106.52 14.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -119.65 130.87 55.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.81 -176.86 26.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t -158.56 140.59 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.399 . . . . 0.0 110.809 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 m -102.45 157.59 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.11 74.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.6 p -70.77 146.78 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.78 152.91 52.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.4 -26.03 4.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt 52.58 46.76 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -67.17 140.54 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -102.9 126.43 50.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -99.26 148.73 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -80.7 115.23 20.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -62.71 -16.62 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.1 mm-40 -77.97 -64.77 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -99.13 -45.14 6.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.52 17.91 5.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -74.75 132.82 41.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.32 130.36 40.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' HD13 ' A' ' 28' ' ' LEU . 96.9 m-85 -120.36 142.24 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.9 t -85.91 12.57 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -144.93 127.36 15.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -64.07 -36.94 85.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.0 p -74.03 -37.32 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.8 m -60.83 -49.9 75.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 22' ' ' PHE . 14.9 tp -59.56 -47.69 84.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 m -47.26 -27.89 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.3 mtt -85.64 -30.73 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.738 ' O ' HG23 ' A' ' 34' ' ' ILE . 19.7 t60 -75.09 -41.97 57.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.83 -16.29 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -70.43 -14.5 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.738 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.4 pt -76.6 -9.63 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.7 m-70 -110.81 14.72 22.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -111.6 17.18 20.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.88 49.48 0.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.85 175.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -112.11 81.42 3.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.541 0.686 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -3.16 11.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -61.11 -50.41 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.68 -166.43 42.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 173.75 10.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.339 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.3 m -131.33 -60.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.4 p -39.6 142.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.498 179.988 . . . . . . . . 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 -0.324 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 m -116.4 90.56 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.922 0.391 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m -86.19 -46.82 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.69 65.94 0.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -82.14 122.27 27.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -79.9 84.19 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.0 158.25 10.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -92.32 38.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 0.0 111.144 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.48 -179.6 16.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.43 74.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.492 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -87.16 40.86 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.402 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 3.8 p80 -77.57 128.24 33.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CE2' ' HE3' ' A' ' 25' ' ' LYS . 51.3 m-85 -97.84 123.09 41.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -99.2 132.24 44.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 t -58.84 126.97 29.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 16' ' ' THR . 3.1 m -83.36 22.85 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 49.3 mt-10 -123.98 -52.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 24.9 p -108.62 -38.45 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.86 21.33 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.431 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 25.1 tttt -80.74 124.47 29.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.96 129.66 36.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.581 ' CE1' HD13 ' A' ' 28' ' ' LEU . 59.8 m-85 -122.45 136.82 54.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t -80.68 9.46 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -142.31 110.63 6.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HE3' ' CE2' ' A' ' 13' ' ' PHE . 50.1 tttt -49.81 -42.54 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.5 p -66.11 -41.55 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.2 m -58.12 -54.81 42.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.581 HD13 ' CE1' ' A' ' 22' ' ' PHE . 9.0 tp -51.67 -52.5 47.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -44.6 -33.49 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.9 mtt -78.01 -31.16 50.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.838 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.7 t60 -72.64 -45.47 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -49.12 -31.64 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -51.98 -29.95 22.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.9 pt -63.08 -29.48 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 90.7 m-70 -81.22 -37.56 28.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -97.11 13.73 28.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.97 -91.76 0.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -97.25 133.87 41.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.412 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -145.72 152.73 49.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.74 160.87 48.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 40' ' ' PRO . 14.6 m -34.27 -64.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.75 -169.48 33.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.08 61.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.341 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -113.19 127.89 56.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -141.14 140.24 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.456 -179.993 . . . . . . . . 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 1.451 -0.303 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -89.95 155.24 19.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.379 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 p -89.8 51.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.69 -119.2 0.88 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p -166.89 126.29 1.46 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.3 p -50.16 102.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.99 39.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -116.06 38.66 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.147 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.74 -165.0 10.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.13 123.7 6.69 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -81.75 124.03 29.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.602 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.7 t60 -127.3 139.37 52.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.9 m-85 -105.28 122.0 45.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -105.57 146.04 30.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 t -76.48 114.31 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 16' ' ' THR . 50.4 m -64.96 -7.79 13.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 23.0 mm-40 -87.26 -60.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.69 -41.41 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.34 24.28 5.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -82.95 131.2 35.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.602 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -95.03 128.16 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 60.4 m-85 -115.18 136.71 52.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 23' ' ' THR . 85.1 m -65.58 -6.13 10.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HG3' ' C ' ' A' ' 23' ' ' THR . 31.0 mtm180 -143.85 137.09 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -70.95 -31.56 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.4 p -68.01 -41.81 81.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 83.4 m -67.99 -29.93 69.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' HIS . 4.7 tp -75.84 -49.65 17.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -42.56 -32.07 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.4 mtm -79.67 -33.26 41.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.717 ' O ' HG23 ' A' ' 34' ' ' ILE . 21.1 t60 -69.63 -41.55 75.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -53.39 -21.56 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -63.36 -24.89 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.2 pt -68.38 -10.61 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.1 m-70 -107.88 -30.02 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.4 p -62.05 -40.42 95.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.85 -152.84 17.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -103.37 163.89 11.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -86.42 138.16 34.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -17.73 37.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -86.35 137.14 32.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . 91.96 96.47 1.34 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.5 Cg_endo -69.76 -10.45 28.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.3 p -123.09 122.8 39.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.2 p -109.66 85.33 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.081 -0.844 . . . . 0.0 112.472 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.807 0.336 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -95.58 154.13 17.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -87.89 116.42 26.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 p -63.42 -15.18 56.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 39.6 mm-40 -79.33 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -98.34 -45.39 6.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.67 19.17 5.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 24.4 tttp -75.77 128.25 34.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.11 121.81 33.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 64.3 m-85 -113.16 140.05 48.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -83.04 3.37 30.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -133.84 131.97 39.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -69.33 -35.94 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.7 p -73.61 -41.25 63.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.2 m -58.59 -49.5 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' HIS . 9.3 tp -57.03 -56.0 27.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.0 m -43.12 -33.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.5 mtm -77.98 -31.73 50.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.741 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.0 t60 -73.32 -45.1 57.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -52.33 -24.4 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -59.69 -26.77 65.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.3 pt -67.45 -25.36 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 92.4 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.413 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 36.2 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -94.23 146.25 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.7 t -81.36 118.51 22.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -66.0 -15.74 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 4.9 mm-40 -78.26 -64.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.27 -47.5 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.05 17.96 3.6 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -75.39 130.26 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.02 130.91 41.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 79.9 m-85 -122.1 138.16 54.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 t -85.34 24.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -158.29 111.63 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -49.96 -31.3 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 t -69.94 -54.89 11.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m -50.13 -47.92 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' HIS . 16.1 tp -57.29 -57.32 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.7 t -41.71 -33.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.0 mtm -80.57 -32.7 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.818 ' O ' HG23 ' A' ' 34' ' ' ILE . 14.0 t60 -72.52 -42.53 64.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.483 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 49.5 mt-30 -55.36 -17.96 5.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -69.33 -11.87 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.818 HG23 ' O ' ' A' ' 31' ' ' HIS . 9.4 pt -77.37 -13.14 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 76.2 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 12.3 m-85 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -98.12 145.61 26.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 36.4 t -78.26 122.52 25.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -71.53 -9.64 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.0 mp0 -85.77 -63.46 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -98.78 -46.18 5.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.03 19.65 4.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -77.79 133.43 38.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.43 121.66 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD1' HD13 ' A' ' 28' ' ' LEU . 55.3 m-85 -112.47 141.87 45.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.3 t -85.78 9.76 15.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -140.42 126.28 19.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.5 tppp? -59.07 -41.01 86.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -68.32 -44.92 74.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.9 m -53.05 -49.0 67.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . 13.3 tp -62.36 -56.93 13.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -45.09 -30.45 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.5 mtm -81.91 -29.67 32.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.758 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.2 t60 -76.89 -44.53 31.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.1 mt-30 -53.55 -22.16 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -62.47 -24.11 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.5 pt -68.27 -27.79 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.9 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -103.38 138.67 39.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 32.0 t -76.12 112.84 12.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 16' ' ' THR . 16.4 m -63.65 -9.23 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.2 mm-40 -84.51 -57.57 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.58 -39.65 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.76 12.39 11.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -71.17 137.59 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.44 133.38 43.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 68.4 m-85 -124.16 135.76 53.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 23' ' ' THR . 53.8 m -78.6 -0.6 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 -133.73 125.67 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -63.38 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 t -74.67 -47.15 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.8 m -57.05 -44.1 82.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -61.83 -49.35 76.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -47.97 -35.62 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.6 mtm -75.23 -31.75 60.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.741 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.6 t60 -74.61 -42.28 58.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 95.6 mt-30 -54.67 -20.71 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -64.71 -20.18 66.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.4 pt -72.47 -11.95 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.069 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 95.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 2.1 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.882 0.373 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -109.98 146.39 35.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.02 113.02 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.8 p -62.64 -12.07 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 33.7 mm-40 -82.74 -62.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -99.54 -43.48 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.58 23.36 4.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 36.6 tttp -83.38 130.05 35.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.0 117.22 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 28' ' ' LEU . 34.7 m-85 -106.38 143.91 33.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -89.93 15.21 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -144.83 105.02 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -43.69 -42.84 5.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -65.1 -46.17 82.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.2 m -54.13 -52.77 60.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD13 ' CE1' ' A' ' 22' ' ' PHE . 12.6 tp -56.41 -48.21 77.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -50.32 -31.2 13.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 mtm -80.2 -28.56 38.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.524 ' O ' HG23 ' A' ' 34' ' ' ILE . 28.1 t60 -78.24 -44.66 24.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.422 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.8 mt-30 -55.99 -14.07 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -71.75 -20.14 61.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 31' ' ' HIS . 3.9 pt -79.46 -16.39 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.3 m-85 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.828 0.347 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 20' ' ' LYS . 2.7 tp10 -104.94 141.21 36.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 18.7 t -76.12 115.97 16.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -67.44 -6.43 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 mp0 -87.65 -61.49 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -102.92 -46.14 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.9 19.87 3.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 19.2 tttp -74.84 139.19 43.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' N ' ' OE2' ' A' ' 14' ' ' GLU . . . -101.09 127.34 47.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 96.0 m-85 -121.5 133.33 55.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.491 HG23 ' CD ' ' A' ' 24' ' ' ARG . 9.9 t -76.18 -1.87 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' CD ' HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -128.42 149.31 50.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.79 -28.81 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -81.17 -40.15 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -59.99 -37.61 80.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' HIS . 9.7 tp -73.38 -50.16 23.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -44.23 -32.65 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 76.9 mtm -81.16 -33.16 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.785 ' O ' HG23 ' A' ' 34' ' ' ILE . 12.2 t60 -70.35 -40.77 73.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -55.95 -16.93 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -69.77 -15.14 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 31' ' ' HIS . 9.0 pt -74.16 -12.5 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 79.6 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 42.4 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -92.51 136.54 33.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.5 t -64.95 132.94 50.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -86.26 25.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 43.4 mm-40 -125.56 -56.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -106.21 -39.37 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.48 27.3 3.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 37.7 tttm -82.97 125.87 31.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 121.29 32.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CE1' HD13 ' A' ' 28' ' ' LEU . 59.4 m-85 -109.23 170.54 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 23' ' ' THR . 19.1 m -107.14 3.77 26.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.172 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -148.05 114.72 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 2.6 tppt? -48.44 -40.45 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 m -60.87 -50.01 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.4 m -53.32 -52.07 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.544 HD13 ' CE1' ' A' ' 22' ' ' PHE . 10.8 tp -57.34 -51.21 70.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -44.02 -35.99 2.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.5 mtt -78.25 -32.93 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.933 ' O ' HG23 ' A' ' 34' ' ' ILE . 9.0 t60 -69.5 -43.68 72.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -51.69 -28.23 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -58.01 -11.91 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.933 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.4 pt -79.8 -23.78 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 98.7 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -101.04 148.23 25.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -77.66 120.18 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 m -67.54 -12.58 60.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 8.2 mm-40 -81.31 -64.58 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -101.28 -45.26 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.5 16.39 4.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 4.5 ttpt -70.17 126.88 30.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.61 132.23 36.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 19.2 m-85 -125.62 139.32 53.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 23' ' ' THR . 46.1 m -77.16 -7.41 55.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -127.08 145.05 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.96 -23.88 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 m -78.04 -48.34 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 m -56.52 -44.76 81.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.552 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.3 tp -64.41 -52.55 57.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -45.31 -33.64 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mtm -80.15 -30.93 39.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.73 ' O ' HG23 ' A' ' 34' ' ' ILE . 9.5 t60 -72.78 -41.55 64.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.421 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.8 mt-30 -56.07 -15.62 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -71.52 -13.43 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.2 pt -77.5 -11.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 87.9 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 36.3 m-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -107.22 146.54 31.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.1 t -77.9 117.57 19.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.4 m -65.3 -15.2 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.597 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 15.4 mm-40 -78.69 -65.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -98.5 -46.31 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.06 25.21 3.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -81.18 130.89 35.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.9 122.47 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.065 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 85.6 m-85 -111.75 141.42 45.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 p -77.07 0.84 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -139.51 134.69 32.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 17.1 ttmt -66.56 -42.16 87.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -63.71 -47.62 80.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.8 m -53.66 -46.03 70.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' HIS . 6.7 tp -64.41 -54.74 27.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 m -41.91 -33.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mtm -79.21 -33.35 43.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.678 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.6 t60 -70.84 -40.48 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -55.54 -15.38 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -70.68 -19.43 62.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.9 pt -72.35 -8.42 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 96.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 74.8 m-85 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -96.93 143.67 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -77.71 124.08 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.6 p -71.31 -7.75 49.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.559 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 10.1 mm-40 -86.97 -63.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -102.23 -44.54 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 13.82 5.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HE2' ' CE1' ' A' ' 31' ' ' HIS . 4.1 ttpt -67.95 132.94 48.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.66 134.06 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.753 ' CE1' HD13 ' A' ' 28' ' ' LEU . 26.2 m-85 -127.78 138.71 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 t -80.92 8.6 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -141.55 135.55 30.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 53.7 tttt -69.33 -38.97 78.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.5 p -69.35 -44.52 71.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -53.74 -49.26 68.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.753 HD13 ' CE1' ' A' ' 22' ' ' PHE . 14.3 tp -63.06 -52.06 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -41.76 -33.57 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.6 mtt -80.66 -32.74 36.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.743 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.4 t60 -70.96 -40.96 71.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.448 HE21 HD21 ' A' ' 28' ' ' LEU . 43.0 mt-30 -55.39 -17.61 5.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -68.57 -18.41 64.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.2 pt -71.77 -11.64 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 89.4 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 25.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -98.61 152.38 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 t -83.45 131.52 35.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -81.03 -3.97 53.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.59 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 74.0 mm-40 -91.34 -58.27 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 p -105.71 -43.0 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.56 20.79 4.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 35.4 tttm -75.2 132.47 41.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.45 125.33 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 80.3 m-85 -116.24 153.78 31.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 t -93.95 13.67 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -155.22 117.22 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 1.8 tppp? -48.7 -38.55 21.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -65.07 -53.87 38.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.7 m -48.25 -42.94 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -66.61 -53.3 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.9 t -44.72 -36.52 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mtm -76.34 -29.28 57.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.855 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.9 t60 -74.62 -45.3 45.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -52.68 -24.12 7.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -61.93 -11.77 14.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.855 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.3 pt -82.47 -17.85 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.59 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 97.3 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -100.99 139.23 36.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -77.63 113.45 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -61.11 -16.2 41.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.5 mm-40 -77.43 -67.29 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -97.56 -43.35 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.2 22.25 4.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 32.3 tttp -76.75 131.81 38.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.48 118.5 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CD1' HD13 ' A' ' 28' ' ' LEU . 73.5 m-85 -109.8 151.86 26.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -94.41 8.1 43.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -141.37 128.39 20.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -62.25 -41.25 98.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -69.45 -41.93 75.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.4 m -55.74 -49.64 72.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.8 tp -60.55 -51.19 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 m -42.87 -37.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.5 mtm -73.71 -32.92 64.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.673 ' O ' HG23 ' A' ' 34' ' ' ILE . 12.9 t60 -74.01 -41.47 61.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.458 ' NE2' HD21 ' A' ' 28' ' ' LEU . 87.6 mt-30 -55.42 -17.79 5.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -68.47 -14.23 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.673 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.5 pt -81.55 -10.58 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.5 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -110.27 134.61 52.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -64.53 129.51 40.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 16' ' ' THR . 6.8 m -83.42 23.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.9 mm-40 -123.42 -56.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.6 p -106.01 -38.47 6.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.66 23.9 5.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tttp -79.65 137.55 37.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.4 129.1 43.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 76.2 m-85 -121.75 134.07 54.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 23' ' ' THR . 57.8 m -79.78 1.35 27.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -135.59 115.63 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -54.16 -38.44 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -68.29 -46.52 70.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.6 m -54.73 -50.72 67.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.197 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -56.47 -45.62 80.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 t -47.14 -36.78 8.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.9 mtm -75.71 -31.73 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.651 ' O ' HG23 ' A' ' 34' ' ' ILE . 21.9 t60 -71.84 -42.34 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -55.52 -17.26 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -69.2 -13.67 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.2 pt -82.9 -12.76 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 25' ' ' LYS . 2.8 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -95.65 145.51 25.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -73.23 130.71 40.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -84.15 27.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.4 mm-40 -128.85 -58.19 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -104.18 -35.37 8.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.3 25.27 6.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 37.0 tttp -82.37 128.02 33.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 130.3 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' ' 28' ' ' LEU . 61.1 m-85 -121.73 143.06 49.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.694 HG23 ' HG3' ' A' ' 24' ' ' ARG . 14.5 t -86.35 3.01 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.694 ' HG3' HG23 ' A' ' 23' ' ' THR . 70.9 mtm180 -139.18 104.97 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -48.19 -40.76 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 t -60.47 -45.27 94.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.3 m -61.4 -51.51 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 22' ' ' PHE . 10.4 tp -50.45 -50.33 52.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 t -47.36 -28.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.1 mtm -83.7 -32.53 25.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.804 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.3 t60 -74.95 -41.15 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.49 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 19.8 mt-30 -55.41 -19.85 10.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -66.8 -15.7 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.804 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.5 pt -74.95 -11.76 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.798 0.333 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -99.92 143.13 30.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 17.0 t -74.37 114.99 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -68.23 -3.58 11.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.2 mp0 -90.39 -61.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.03 -44.59 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.6 21.14 3.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 15.2 tttp -80.88 130.04 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.61 131.75 37.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 77.3 m-85 -124.42 137.77 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -84.76 0.66 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -129.41 123.13 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -59.09 -38.73 80.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.3 m -72.59 -41.44 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.5 m -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD13 ' CD1' ' A' ' 22' ' ' PHE . 7.2 tp -64.03 -46.7 83.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -49.33 -33.82 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.8 mtm -79.26 -30.32 43.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.754 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.9 t60 -74.79 -42.26 58.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -55.27 -18.21 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -68.65 -12.73 61.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.754 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.7 pt -78.97 -12.21 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 82.3 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -102.71 147.63 26.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' HG ' ' CD ' ' A' ' 17' ' ' GLU . 11.4 t -82.14 112.92 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -65.16 -9.75 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.581 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp0 -83.95 -61.4 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -102.44 -42.26 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.17 24.07 4.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.542 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 26.6 tttp -82.95 128.26 34.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.83 118.99 33.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.619 ' CE1' HD13 ' A' ' 28' ' ' LEU . 43.3 m-85 -109.76 144.22 38.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -3.21 59.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -128.34 116.6 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -53.12 -38.54 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -67.97 -47.33 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -53.67 -50.92 64.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.619 HD13 ' CE1' ' A' ' 22' ' ' PHE . 11.6 tp -60.32 -52.56 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.4 m -47.48 -29.29 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.2 mtt -82.17 -30.65 30.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.7 ' O ' HG23 ' A' ' 34' ' ' ILE . 16.1 t60 -75.44 -45.35 39.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -54.75 -19.88 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -66.29 -13.08 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 31' ' ' HIS . 4.2 pt -85.36 -19.9 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 83.8 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.834 0.35 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -100.08 152.42 20.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.6 t -82.66 119.01 23.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -67.34 -12.12 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.524 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 54.5 mm-40 -82.04 -61.67 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -102.32 -45.13 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.26 23.71 3.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tttt -80.42 127.38 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.0 128.76 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 46.0 m-85 -121.66 137.02 54.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.5 t -84.06 11.3 8.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -141.59 113.53 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -50.74 -39.83 53.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -69.33 -44.43 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.3 m -53.89 -48.94 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' HIS . 11.5 tp -61.63 -53.82 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 t -41.07 -36.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.3 mtm -77.89 -33.89 51.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.769 ' O ' HG23 ' A' ' 34' ' ' ILE . 11.4 t60 -70.19 -40.84 74.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -54.95 -19.18 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -66.94 -15.53 63.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.769 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.7 pt -76.69 -9.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 95.2 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -99.26 148.73 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -80.7 115.23 20.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -62.71 -16.62 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.1 mm-40 -77.97 -64.77 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -99.13 -45.14 6.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.52 17.91 5.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -74.75 132.82 41.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.32 130.36 40.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' HD13 ' A' ' 28' ' ' LEU . 96.9 m-85 -120.36 142.24 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.9 t -85.91 12.57 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -144.93 127.36 15.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -64.07 -36.94 85.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.0 p -74.03 -37.32 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.8 m -60.83 -49.9 75.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 22' ' ' PHE . 14.9 tp -59.56 -47.69 84.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 m -47.26 -27.89 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.3 mtt -85.64 -30.73 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.738 ' O ' HG23 ' A' ' 34' ' ' ILE . 19.7 t60 -75.09 -41.97 57.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.83 -16.29 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -70.43 -14.5 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.738 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.4 pt -76.6 -9.63 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.7 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CE2' ' HE3' ' A' ' 25' ' ' LYS . 51.3 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -99.2 132.24 44.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 t -58.84 126.97 29.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 16' ' ' THR . 3.1 m -83.36 22.85 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 49.3 mt-10 -123.98 -52.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 24.9 p -108.62 -38.45 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.86 21.33 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.431 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 25.1 tttt -80.74 124.47 29.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.96 129.66 36.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.581 ' CE1' HD13 ' A' ' 28' ' ' LEU . 59.8 m-85 -122.45 136.82 54.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t -80.68 9.46 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -142.31 110.63 6.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HE3' ' CE2' ' A' ' 13' ' ' PHE . 50.1 tttt -49.81 -42.54 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.5 p -66.11 -41.55 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.2 m -58.12 -54.81 42.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.581 HD13 ' CE1' ' A' ' 22' ' ' PHE . 9.0 tp -51.67 -52.5 47.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -44.6 -33.49 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.9 mtt -78.01 -31.16 50.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.838 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.7 t60 -72.64 -45.47 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -49.12 -31.64 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -51.98 -29.95 22.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.9 pt -63.08 -29.48 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 90.7 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.9 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.836 0.35 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -105.57 146.04 30.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 t -76.48 114.31 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 16' ' ' THR . 50.4 m -64.96 -7.79 13.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 23.0 mm-40 -87.26 -60.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.69 -41.41 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.34 24.28 5.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -82.95 131.2 35.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.03 128.16 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CD1' HD13 ' A' ' 28' ' ' LEU . 60.4 m-85 -115.18 136.71 52.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 23' ' ' THR . 85.1 m -65.58 -6.13 10.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HG3' ' C ' ' A' ' 23' ' ' THR . 31.0 mtm180 -143.85 137.09 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -70.95 -31.56 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.4 p -68.01 -41.81 81.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 83.4 m -67.99 -29.93 69.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' HIS . 4.7 tp -75.84 -49.65 17.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -42.56 -32.07 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.4 mtm -79.67 -33.26 41.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.717 ' O ' HG23 ' A' ' 34' ' ' ILE . 21.1 t60 -69.63 -41.55 75.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -53.39 -21.56 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -63.36 -24.89 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.2 pt -68.38 -10.61 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -93.34 129.27 39.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -118.56 -54.15 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.9 176.96 21.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m -121.34 -60.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 m -128.44 83.27 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.53 -155.74 52.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.7 p -93.72 -49.65 5.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 111.137 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.99 -49.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.75 140.73 15.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -89.48 80.97 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.45 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 4.2 p-80 -99.41 125.93 45.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -102.63 121.9 43.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -95.58 154.13 17.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -87.89 116.42 26.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 p -63.42 -15.18 56.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 39.6 mm-40 -79.33 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -98.34 -45.39 6.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.67 19.17 5.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 24.4 tttp -75.77 128.25 34.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.11 121.81 33.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 64.3 m-85 -113.16 140.05 48.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -83.04 3.37 30.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -133.84 131.97 39.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -69.33 -35.94 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.7 p -73.61 -41.25 63.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.2 m -58.59 -49.5 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' HIS . 9.3 tp -57.03 -56.0 27.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.0 m -43.12 -33.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.5 mtm -77.98 -31.73 50.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.741 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.0 t60 -73.32 -45.1 57.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -52.33 -24.4 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HA ' HG22 ' A' ' 36' ' ' THR . 41.5 mttt -59.69 -26.77 65.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.3 pt -67.45 -25.36 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 92.4 m-70 -83.3 -35.93 24.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 33' ' ' LYS . 15.3 t -91.39 16.0 11.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.41 59.53 0.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LYS . 17.8 mm-40 -117.72 176.94 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' GLU . 8.3 mtmp? -36.33 153.6 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 104.17 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.667 2.244 . . . . 0.0 112.3 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.1 t -71.72 -53.81 12.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.818 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.44 84.68 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 177.01 6.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -144.07 179.39 7.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.1 t -81.31 51.79 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.501 179.99 . . . . . . . . 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 -0.332 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.2 m -105.41 89.81 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.825 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -116.54 106.79 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.25 -100.01 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t 49.43 40.97 20.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -64.29 164.18 11.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.45 162.01 11.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -159.0 156.92 30.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 111.142 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.38 -88.91 0.2 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.48 -113.58 3.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -141.14 113.29 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -117.84 143.94 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 36.2 m-85 -110.6 123.95 50.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -94.23 146.25 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.7 t -81.36 118.51 22.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -66.0 -15.74 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 4.9 mm-40 -78.26 -64.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.27 -47.5 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.05 17.96 3.6 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -75.39 130.26 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.02 130.91 41.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 79.9 m-85 -122.1 138.16 54.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 t -85.34 24.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -158.29 111.63 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -49.96 -31.3 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 t -69.94 -54.89 11.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m -50.13 -47.92 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' HIS . 16.1 tp -57.29 -57.32 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.7 t -41.71 -33.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.0 mtm -80.57 -32.7 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.818 ' O ' HG23 ' A' ' 34' ' ' ILE . 14.0 t60 -72.52 -42.53 64.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.483 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 49.5 mt-30 -55.36 -17.96 5.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -69.33 -11.87 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.818 HG23 ' O ' ' A' ' 31' ' ' HIS . 9.4 pt -77.37 -13.14 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 76.2 m-70 -109.1 -26.32 10.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLY . 16.6 p -59.11 -39.79 83.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -36.43 -65.14 0.55 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.01 39.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -153.66 149.37 21.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.542 0.687 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 173.9 10.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t 69.51 33.92 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.17 172.7 16.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.4 19.02 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.8 t -61.59 106.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -111.29 121.86 46.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.489 179.976 . . . . . . . . 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 -0.316 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -95.51 84.53 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 110.848 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 p -131.66 81.88 2.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.19 110.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -124.35 97.41 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -167.46 133.61 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -114.53 48.7 0.91 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.7 t 33.66 45.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.13 170.6 52.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.05 123.16 6.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.49 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -74.37 83.66 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -88.89 134.29 34.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 12.3 m-85 -90.5 113.47 25.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -98.12 145.61 26.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 36.4 t -78.26 122.52 25.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -71.53 -9.64 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.0 mp0 -85.77 -63.46 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -98.78 -46.18 5.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.03 19.65 4.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -77.79 133.43 38.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.43 121.66 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD1' HD13 ' A' ' 28' ' ' LEU . 55.3 m-85 -112.47 141.87 45.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.3 t -85.78 9.76 15.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -140.42 126.28 19.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.5 tppp? -59.07 -41.01 86.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -68.32 -44.92 74.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.9 m -53.05 -49.0 67.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . 13.3 tp -62.36 -56.93 13.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -45.09 -30.45 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.5 mtm -81.91 -29.67 32.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.758 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.2 t60 -76.89 -44.53 31.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.1 mt-30 -53.55 -22.16 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -62.47 -24.11 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.5 pt -68.27 -27.79 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.9 m-70 -83.16 -37.99 22.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 t -101.62 16.03 27.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.15 -176.97 51.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -58.84 156.81 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -126.97 151.57 74.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.641 2.228 . . . . 0.0 112.359 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -59.46 152.06 22.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.69 -158.17 14.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 171.71 13.93 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.1 m -83.56 41.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -41.31 104.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.502 -179.995 . . . . . . . . 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 -0.286 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 t -163.56 129.47 3.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.357 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 p -169.89 126.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.33 108.88 1.53 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 m -62.87 -45.72 91.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 m 61.58 42.09 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.07 56.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -102.73 41.06 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 111.123 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.24 -127.13 5.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.49 -137.97 10.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -110.14 83.46 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -100.49 141.26 33.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.19 129.06 53.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -103.38 138.67 39.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 32.0 t -76.12 112.84 12.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 16' ' ' THR . 16.4 m -63.65 -9.23 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.2 mm-40 -84.51 -57.57 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.58 -39.65 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.76 12.39 11.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -71.17 137.59 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.44 133.38 43.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 68.4 m-85 -124.16 135.76 53.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 23' ' ' THR . 53.8 m -78.6 -0.6 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 -133.73 125.67 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -63.38 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 t -74.67 -47.15 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.8 m -57.05 -44.1 82.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -61.83 -49.35 76.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -47.97 -35.62 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.6 mtm -75.23 -31.75 60.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.741 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.6 t60 -74.61 -42.28 58.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 95.6 mt-30 -54.67 -20.71 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -64.71 -20.18 66.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.4 pt -72.47 -11.95 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.069 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 95.5 m-70 -107.19 -21.05 13.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 p -67.09 -41.23 86.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.18 85.91 1.01 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.62 155.1 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -39.57 153.29 0.19 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.559 0.695 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -27.08 27.0 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.755 2.304 . . . . 0.0 112.323 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -49.76 137.5 16.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.45 158.47 18.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 134.32 27.8 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.656 2.237 . . . . 0.0 112.39 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 p -76.9 -10.32 59.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 t 42.35 45.75 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.492 179.991 . . . . . . . . 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 -0.303 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -85.66 48.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.828 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -79.34 -50.14 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.01 103.3 0.62 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 t -45.9 -48.32 16.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -153.03 127.9 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.92 170.79 19.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.8 m -141.37 130.83 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.175 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.66 171.28 44.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.3 -155.95 30.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 135.11 46.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.632 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.7 t60 -134.26 154.79 51.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 2.1 m-85 -117.66 127.41 53.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -109.98 146.39 35.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.02 113.02 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.8 p -62.64 -12.07 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 33.7 mm-40 -82.74 -62.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -99.54 -43.48 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.58 23.36 4.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 36.6 tttp -83.38 130.05 35.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.632 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -97.0 117.22 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.533 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 34.7 m-85 -106.38 143.91 33.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -89.93 15.21 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -144.83 105.02 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -43.69 -42.84 5.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -65.1 -46.17 82.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.2 m -54.13 -52.77 60.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD13 ' CE1' ' A' ' 22' ' ' PHE . 12.6 tp -56.41 -48.21 77.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -50.32 -31.2 13.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 mtm -80.2 -28.56 38.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.524 ' O ' HG23 ' A' ' 34' ' ' ILE . 28.1 t60 -78.24 -44.66 24.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.422 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.8 mt-30 -55.99 -14.07 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -71.75 -20.14 61.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 31' ' ' HIS . 3.9 pt -79.46 -16.39 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.0 m-70 -88.49 -35.58 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -86.17 -32.41 21.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.49 -89.35 1.03 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -108.71 158.7 17.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -48.59 143.31 7.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.69 2.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.9 p -48.51 153.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.64 -66.0 1.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 100.29 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -59.23 155.66 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.1 p -65.99 -9.47 30.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.515 179.988 . . . . . . . . 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 1.45 -0.369 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -148.63 143.86 26.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m -86.7 158.24 19.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.96 89.28 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 t -122.16 110.85 16.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -112.23 144.04 42.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.54 103.14 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.38 73.95 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.48 -55.15 3.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.82 142.18 47.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -126.7 90.94 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -82.67 146.59 29.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.3 m-85 -100.77 125.82 47.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 20' ' ' LYS . 2.7 tp10 -104.94 141.21 36.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 18.7 t -76.12 115.97 16.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -67.44 -6.43 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 mp0 -87.65 -61.49 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -102.92 -46.14 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.9 19.87 3.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 19.2 tttp -74.84 139.19 43.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' N ' ' OE2' ' A' ' 14' ' ' GLU . . . -101.09 127.34 47.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 96.0 m-85 -121.5 133.33 55.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.491 HG23 ' CD ' ' A' ' 24' ' ' ARG . 9.9 t -76.18 -1.87 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' CD ' HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -128.42 149.31 50.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.79 -28.81 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -81.17 -40.15 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -59.99 -37.61 80.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' HIS . 9.7 tp -73.38 -50.16 23.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -44.23 -32.65 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 76.9 mtm -81.16 -33.16 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.785 ' O ' HG23 ' A' ' 34' ' ' ILE . 12.2 t60 -70.35 -40.77 73.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -55.95 -16.93 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -69.77 -15.14 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 31' ' ' HIS . 9.0 pt -74.16 -12.5 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 79.6 m-70 -109.89 -29.46 8.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.6 p -59.64 -40.52 87.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.44 -174.84 14.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 57.74 38.84 27.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 41.4 tttp -110.05 138.06 20.69 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.7 173.38 11.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.74 2.293 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 m 64.7 40.63 5.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.3 -71.1 0.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.452 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 85.47 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -134.56 79.63 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.9 t -174.53 162.74 3.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.532 -179.993 . . . . . . . . 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 -0.327 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -101.24 112.54 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -145.35 128.75 16.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.83 132.06 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -90.49 119.23 30.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -152.44 158.88 43.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.7 122.88 0.71 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -100.44 109.55 21.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 111.112 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.81 -146.3 5.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.84 -166.13 19.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -121.49 85.37 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 11.6 p-80 -118.3 124.52 48.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 42.4 m-85 -94.21 114.1 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -92.51 136.54 33.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.5 t -64.95 132.94 50.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -86.26 25.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 43.4 mm-40 -125.56 -56.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -106.21 -39.37 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.48 27.3 3.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 37.7 tttm -82.97 125.87 31.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 121.29 32.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CE1' HD13 ' A' ' 28' ' ' LEU . 59.4 m-85 -109.23 170.54 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 23' ' ' THR . 19.1 m -107.14 3.77 26.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.172 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -148.05 114.72 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 2.6 tppt? -48.44 -40.45 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 m -60.87 -50.01 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.4 m -53.32 -52.07 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.544 HD13 ' CE1' ' A' ' 22' ' ' PHE . 10.8 tp -57.34 -51.21 70.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -44.02 -35.99 2.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.5 mtt -78.25 -32.93 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.933 ' O ' HG23 ' A' ' 34' ' ' ILE . 9.0 t60 -69.5 -43.68 72.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -51.69 -28.23 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HA ' HG22 ' A' ' 36' ' ' THR . 7.4 mtmp? -58.01 -11.91 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.933 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.4 pt -79.8 -23.78 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 98.7 m-70 -88.39 -36.03 16.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 33' ' ' LYS . 5.1 t -85.97 -29.96 23.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.88 178.88 15.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -141.26 135.89 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -49.79 155.26 1.52 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.714 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 111.42 2.79 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.3 p -147.01 132.11 18.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.27 -74.61 1.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 124.54 11.16 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.647 2.232 . . . . 0.0 112.351 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.6 p -87.6 148.79 24.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 t -88.26 95.67 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.472 -179.992 . . . . . . . . 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 -0.356 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -135.47 106.35 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.82 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t -102.55 158.26 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.31 114.34 0.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -100.54 131.62 46.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.7 p -142.94 163.55 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.28 43.94 1.8 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.2 p -74.77 163.69 27.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 111.162 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.16 -127.82 9.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.57 -119.84 2.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -105.63 42.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.7 t60 -66.37 139.14 58.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -102.7 116.94 33.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -101.04 148.23 25.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -77.66 120.18 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 m -67.54 -12.58 60.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 8.2 mm-40 -81.31 -64.58 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -101.28 -45.26 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.5 16.39 4.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 4.5 ttpt -70.17 126.88 30.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -91.61 132.23 36.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 19.2 m-85 -125.62 139.32 53.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 23' ' ' THR . 46.1 m -77.16 -7.41 55.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -127.08 145.05 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.96 -23.88 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 m -78.04 -48.34 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 m -56.52 -44.76 81.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.552 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.3 tp -64.41 -52.55 57.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -45.31 -33.64 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mtm -80.15 -30.93 39.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.73 ' O ' HG23 ' A' ' 34' ' ' ILE . 9.5 t60 -72.78 -41.55 64.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.421 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 29.8 mt-30 -56.07 -15.62 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -71.52 -13.43 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.2 pt -77.5 -11.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 87.9 m-70 -108.44 -27.46 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.7 p -64.9 -34.55 78.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.36 -74.14 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -104.39 155.87 18.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -157.48 143.58 12.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.615 0.722 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 138.28 37.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -47.07 172.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.64 89.84 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.33 13.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -68.33 123.43 20.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.7 p -107.73 122.78 47.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.501 -179.993 . . . . . . . . 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 -0.359 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 t -98.84 103.89 15.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -86.38 138.62 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.88 127.1 2.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -143.64 157.75 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -48.73 176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.75 -51.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 t -135.49 146.92 48.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.32 111.33 3.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.97 -125.83 8.05 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -124.9 44.45 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -77.58 136.65 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 36.3 m-85 -99.86 123.96 44.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -107.22 146.54 31.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.1 t -77.9 117.57 19.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.4 m -65.3 -15.2 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.597 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 15.4 mm-40 -78.69 -65.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -98.5 -46.31 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.06 25.21 3.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -81.18 130.89 35.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -93.9 122.47 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.065 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.6 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 85.6 m-85 -111.75 141.42 45.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 p -77.07 0.84 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -139.51 134.69 32.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 17.1 ttmt -66.56 -42.16 87.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -63.71 -47.62 80.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.8 m -53.66 -46.03 70.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' HIS . 6.7 tp -64.41 -54.74 27.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 m -41.91 -33.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mtm -79.21 -33.35 43.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.678 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.6 t60 -70.84 -40.48 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -55.54 -15.38 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -70.68 -19.43 62.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.9 pt -72.35 -8.42 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 96.7 m-70 -108.93 -31.27 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.6 p -62.43 -40.28 96.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.7 114.65 1.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -59.46 108.75 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -154.66 151.92 24.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.537 0.684 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -2.52 10.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 m -80.73 165.69 21.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.4 168.12 54.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -36.18 11.3 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.3 t -100.06 90.65 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.2 t -156.57 156.9 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.52 -179.923 . . . . . . . . 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 -0.319 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -169.83 131.04 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.883 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -124.81 150.1 46.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.29 86.17 0.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -54.18 143.95 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 t -145.98 147.5 31.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.83 -47.61 0.52 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.2 m -158.67 119.53 3.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.88 -120.43 3.92 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.88 41.79 8.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 mttm 39.6 45.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -79.58 128.0 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 74.8 m-85 -99.87 127.4 46.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -96.93 143.67 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -77.71 124.08 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.6 p -71.31 -7.75 49.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.559 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 10.1 mm-40 -86.97 -63.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -102.23 -44.54 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 13.82 5.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HE2' ' CE1' ' A' ' 31' ' ' HIS . 4.1 ttpt -67.95 132.94 48.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.66 134.06 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.753 ' CE1' HD13 ' A' ' 28' ' ' LEU . 26.2 m-85 -127.78 138.71 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 t -80.92 8.6 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -141.55 135.55 30.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 53.7 tttt -69.33 -38.97 78.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.5 p -69.35 -44.52 71.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -53.74 -49.26 68.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.753 HD13 ' CE1' ' A' ' 22' ' ' PHE . 14.3 tp -63.06 -52.06 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -41.76 -33.57 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.6 mtt -80.66 -32.74 36.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.743 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.4 t60 -70.96 -40.96 71.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.448 HE21 HD21 ' A' ' 28' ' ' LEU . 43.0 mt-30 -55.39 -17.61 5.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -68.57 -18.41 64.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.2 pt -71.77 -11.64 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 89.4 m-70 -108.57 -29.95 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -59.21 -41.7 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.33 125.23 5.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -97.66 -44.09 6.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 13.7 tppt? 64.97 50.8 0.89 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.4 Cg_endo -69.75 117.96 5.4 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.386 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m 51.06 53.22 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.83 -176.06 21.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.76 4.15 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 45' ' ' SER . 3.4 t -96.01 114.63 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 44' ' ' SER . 98.2 p -34.66 144.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.478 -179.999 . . . . . . . . 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 -0.303 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -148.0 148.75 31.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 p -101.57 -25.27 13.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.66 78.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.546 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p -89.11 147.95 23.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t 62.6 43.74 7.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.78 116.54 3.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.4 m -127.19 139.93 52.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 111.146 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.09 -102.89 1.03 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.66 -126.25 2.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -67.13 79.27 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 12' ' ' HIS . 2.0 p-80 -113.2 140.53 47.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 25.2 m-85 -105.96 118.17 35.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -98.61 152.38 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 t -83.45 131.52 35.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -81.03 -3.97 53.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.59 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 74.0 mm-40 -91.34 -58.27 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 p -105.71 -43.0 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.56 20.79 4.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 35.4 tttm -75.2 132.47 41.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.45 125.33 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 80.3 m-85 -116.24 153.78 31.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 t -93.95 13.67 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -155.22 117.22 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 1.8 tppp? -48.7 -38.55 21.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -65.07 -53.87 38.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.7 m -48.25 -42.94 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -66.61 -53.3 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.9 t -44.72 -36.52 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mtm -76.34 -29.28 57.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.855 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.9 t60 -74.62 -45.3 45.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -52.68 -24.12 7.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HA ' HG22 ' A' ' 36' ' ' THR . 48.1 mtmt -61.93 -11.77 14.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.855 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.3 pt -82.47 -17.85 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.59 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 97.3 m-70 -90.74 -38.09 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 33' ' ' LYS . 9.6 t -79.49 -33.79 41.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.69 -78.53 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.17 143.06 28.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -130.8 74.31 80.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -45.95 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -152.28 174.8 13.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.86 -168.04 17.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.02 3.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t 53.24 42.46 32.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.7 m -51.39 -45.34 62.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.449 -179.965 . . . . . . . . 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 1.45 -0.37 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 p -130.55 42.39 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -120.17 149.99 41.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.4 67.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -114.72 129.4 56.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -138.73 109.2 6.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.28 115.61 7.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.2 p -71.45 -42.7 67.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.94 143.36 16.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.35 -45.21 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -89.94 42.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -92.81 127.78 38.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -98.1 132.39 43.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -100.99 139.23 36.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -77.63 113.45 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -61.11 -16.2 41.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.5 mm-40 -77.43 -67.29 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -97.56 -43.35 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.2 22.25 4.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 32.3 tttp -76.75 131.81 38.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.48 118.5 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CD1' HD13 ' A' ' 28' ' ' LEU . 73.5 m-85 -109.8 151.86 26.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -94.41 8.1 43.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -141.37 128.39 20.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -62.25 -41.25 98.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -69.45 -41.93 75.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.4 m -55.74 -49.64 72.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.8 tp -60.55 -51.19 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 m -42.87 -37.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.5 mtm -73.71 -32.92 64.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.673 ' O ' HG23 ' A' ' 34' ' ' ILE . 12.9 t60 -74.01 -41.47 61.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' NE2' HD21 ' A' ' 28' ' ' LEU . 87.6 mt-30 -55.42 -17.79 5.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -68.47 -14.23 62.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.673 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.5 pt -81.55 -10.58 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.5 m-70 -106.4 -21.76 12.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 p -90.0 16.45 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.38 59.87 0.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -155.28 155.86 34.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.389 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -70.07 148.54 96.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.87 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 160.18 50.65 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -155.49 144.48 20.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.51 -102.22 0.17 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 136.74 33.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.8 m -160.74 140.35 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.4 m -101.48 81.9 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.531 -179.977 . . . . . . . . 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 -0.29 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -132.86 141.24 48.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -152.06 153.2 33.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.22 146.67 8.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 t -139.49 109.59 6.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -144.02 158.96 43.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.72 150.98 8.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 8' ' ' THR . 14.8 t -121.35 39.21 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.52 152.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 55.11 171.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -97.28 103.77 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.77 0.319 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -98.61 138.78 35.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -101.21 137.16 39.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -110.27 134.61 52.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -64.53 129.51 40.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 16' ' ' THR . 6.8 m -83.42 23.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.9 mm-40 -123.42 -56.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.6 p -106.01 -38.47 6.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.66 23.9 5.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tttp -79.65 137.55 37.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.4 129.1 43.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 76.2 m-85 -121.75 134.07 54.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 23' ' ' THR . 57.8 m -79.78 1.35 27.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -135.59 115.63 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -54.16 -38.44 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -68.29 -46.52 70.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.6 m -54.73 -50.72 67.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.197 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -56.47 -45.62 80.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 t -47.14 -36.78 8.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.9 mtm -75.71 -31.73 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.651 ' O ' HG23 ' A' ' 34' ' ' ILE . 21.9 t60 -71.84 -42.34 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -55.52 -17.26 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -69.2 -13.67 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.2 pt -82.9 -12.76 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.4 m-70 -106.63 -26.27 11.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 p -87.41 14.53 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.72 133.14 44.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -94.08 -59.05 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -107.82 83.24 1.61 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -14.49 36.29 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 t -49.53 160.3 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.44 -87.76 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.25 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' SER . 21.2 m -82.62 81.32 8.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' SER . 50.5 p 34.79 42.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.486 -179.986 . . . . . . . . 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 -0.316 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -148.01 119.39 7.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -111.11 97.96 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.46 -169.73 17.21 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -130.16 155.54 46.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -117.15 -55.16 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.808 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.99 147.2 8.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 t -77.45 -10.94 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 111.124 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.11 64.48 4.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.11 -167.7 16.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -121.05 120.11 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -117.67 133.09 56.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 25' ' ' LYS . 2.8 m-85 -105.71 123.31 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -95.65 145.51 25.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -73.23 130.71 40.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -84.15 27.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.4 mm-40 -128.85 -58.19 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -104.18 -35.37 8.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.3 25.27 6.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 37.0 tttp -82.37 128.02 33.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 130.3 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' ' 28' ' ' LEU . 61.1 m-85 -121.73 143.06 49.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.694 HG23 ' HG3' ' A' ' 24' ' ' ARG . 14.5 t -86.35 3.01 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.694 ' HG3' HG23 ' A' ' 23' ' ' THR . 70.9 mtm180 -139.18 104.97 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -48.19 -40.76 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 t -60.47 -45.27 94.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.3 m -61.4 -51.51 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 22' ' ' PHE . 10.4 tp -50.45 -50.33 52.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 t -47.36 -28.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.1 mtm -83.7 -32.53 25.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.804 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.3 t60 -74.95 -41.15 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.49 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 19.8 mt-30 -55.41 -19.85 10.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -66.8 -15.7 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.804 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.5 pt -74.95 -11.76 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -108.66 -24.87 11.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p -66.83 -33.4 75.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -71.78 -61.62 3.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -39.78 -25.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 37' ' ' GLY . 33.0 ttmt -71.04 136.42 84.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -48.48 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -70.98 160.57 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.45 154.68 21.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.91 8.81 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.317 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -84.31 47.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 p -144.98 152.49 40.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.499 -179.986 . . . . . . . . 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 -0.323 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -121.56 155.81 34.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -115.79 143.27 45.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.09 -97.02 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m 60.89 42.56 12.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -59.47 131.97 52.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.25 47.28 0.14 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -158.44 145.09 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.177 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.56 -77.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.38 176.68 39.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -111.11 80.45 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.596 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.8 t60 -111.26 139.82 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -100.93 115.88 31.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -99.92 143.13 30.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 17.0 t -74.37 114.99 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -68.23 -3.58 11.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.2 mp0 -90.39 -61.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.03 -44.59 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.6 21.14 3.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 15.2 tttp -80.88 130.04 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.596 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -92.61 131.75 37.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.521 ' N ' ' NE2' ' A' ' 12' ' ' HIS . 77.3 m-85 -124.42 137.77 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -84.76 0.66 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -129.41 123.13 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -59.09 -38.73 80.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.3 m -72.59 -41.44 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.5 m -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD13 ' CD1' ' A' ' 22' ' ' PHE . 7.2 tp -64.03 -46.7 83.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -49.33 -33.82 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.8 mtm -79.26 -30.32 43.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.754 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.9 t60 -74.79 -42.26 58.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -55.27 -18.21 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -68.65 -12.73 61.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.754 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.7 pt -78.97 -12.21 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 82.3 m-70 -110.0 -19.43 13.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -77.03 -26.39 53.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.44 64.04 4.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 39' ' ' LYS . 6.7 pt-20 -147.02 151.22 36.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' GLU . 60.5 mttt -32.62 96.12 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLU . 53.8 Cg_endo -69.78 148.13 64.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 m -92.42 91.87 7.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.5 170.08 40.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -35.12 13.14 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.631 2.221 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -133.89 174.66 10.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.1 m -101.3 86.53 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.451 -179.969 . . . . . . . . 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 1.451 -0.302 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -122.63 158.88 29.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.828 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 p -93.71 -44.24 8.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.41 87.73 0.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -94.69 42.22 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 m -137.43 133.25 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.88 154.58 25.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 8' ' ' THR . 9.9 t -130.91 116.25 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.161 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.02 80.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.0 -179.42 0.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -114.68 123.75 50.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.7 t60 -109.39 133.3 53.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -98.95 120.83 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -102.71 147.63 26.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 11.4 t -82.14 112.92 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -65.16 -9.75 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.581 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 3.1 mp0 -83.95 -61.4 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -102.44 -42.26 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.17 24.07 4.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.542 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 26.6 tttp -82.95 128.26 34.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.607 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -95.83 118.99 33.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.619 ' CE1' HD13 ' A' ' 28' ' ' LEU . 43.3 m-85 -109.76 144.22 38.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -3.21 59.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -128.34 116.6 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -53.12 -38.54 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -67.97 -47.33 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -53.67 -50.92 64.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.619 HD13 ' CE1' ' A' ' 22' ' ' PHE . 11.6 tp -60.32 -52.56 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.4 m -47.48 -29.29 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.2 mtt -82.17 -30.65 30.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.7 ' O ' HG23 ' A' ' 34' ' ' ILE . 16.1 t60 -75.44 -45.35 39.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -54.75 -19.88 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -66.29 -13.08 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 31' ' ' HIS . 4.2 pt -85.36 -19.9 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 83.8 m-70 -83.87 -34.51 24.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -84.07 -37.22 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.16 107.66 1.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.436 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 2.4 pp20? -46.7 117.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 40.4 tptt -122.39 91.46 49.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.2 Cg_endo -69.79 87.9 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.337 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.1 p -76.13 86.9 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.47 -75.11 0.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -4.6 14.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 t -91.42 -46.6 7.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -159.88 132.85 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.451 -179.971 . . . . . . . . 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 1.452 -0.284 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -92.75 42.46 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -129.23 170.16 13.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.43 -101.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -93.99 88.76 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -66.85 -44.07 81.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.7 100.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 m -79.23 90.99 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.152 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.0 122.46 0.61 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.555 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.91 86.9 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -70.68 113.52 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.706 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.7 t-160 -78.45 127.55 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -99.56 118.81 36.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -100.08 152.42 20.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.6 t -82.66 119.01 23.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -67.34 -12.12 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.524 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 54.5 mm-40 -82.04 -61.67 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -102.32 -45.13 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.26 23.71 3.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tttt -80.42 127.38 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.706 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -91.0 128.76 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 46.0 m-85 -121.66 137.02 54.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.5 t -84.06 11.3 8.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -141.59 113.53 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -50.74 -39.83 53.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -69.33 -44.43 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.3 m -53.89 -48.94 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' HIS . 11.5 tp -61.63 -53.82 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 t -41.07 -36.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.3 mtm -77.89 -33.89 51.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.769 ' O ' HG23 ' A' ' 34' ' ' ILE . 11.4 t60 -70.19 -40.84 74.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -54.95 -19.18 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -66.94 -15.53 63.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.769 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.7 pt -76.69 -9.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 95.2 m-70 -109.45 -30.83 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.3 p -72.32 -41.89 66.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.71 -93.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.51 150.59 47.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.876 0.37 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -95.16 154.28 39.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 167.74 23.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.0 m -117.65 87.92 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.27 167.64 40.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 145.73 57.62 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.278 . . . . 0.0 112.306 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 46' ' ' GLY . 40.1 m -61.43 -56.63 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.7 p -40.38 -27.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 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 -0.26 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m -113.7 106.52 14.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -119.65 130.87 55.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.81 -176.86 26.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t -158.56 140.59 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.399 . . . . 0.0 110.809 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 m -102.45 157.59 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.11 74.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.6 p -70.77 146.78 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.78 152.91 52.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.4 -26.03 4.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt 52.58 46.76 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -67.17 140.54 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -102.9 126.43 50.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -99.26 148.73 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -80.7 115.23 20.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -62.71 -16.62 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.1 mm-40 -77.97 -64.77 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -99.13 -45.14 6.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.52 17.91 5.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -74.75 132.82 41.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.32 130.36 40.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' HD13 ' A' ' 28' ' ' LEU . 96.9 m-85 -120.36 142.24 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.9 t -85.91 12.57 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -144.93 127.36 15.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -64.07 -36.94 85.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.0 p -74.03 -37.32 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.8 m -60.83 -49.9 75.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 22' ' ' PHE . 14.9 tp -59.56 -47.69 84.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 m -47.26 -27.89 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.3 mtt -85.64 -30.73 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.738 ' O ' HG23 ' A' ' 34' ' ' ILE . 19.7 t60 -75.09 -41.97 57.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.83 -16.29 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -70.43 -14.5 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.738 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.4 pt -76.6 -9.63 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.7 m-70 -110.81 14.72 22.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -111.6 17.18 20.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.88 49.48 0.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.85 175.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -112.11 81.42 3.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.541 0.686 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -3.16 11.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -61.11 -50.41 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.68 -166.43 42.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 173.75 10.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.339 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.3 m -131.33 -60.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.4 p -39.6 142.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.498 179.988 . . . . . . . . 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 -0.324 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 m -116.4 90.56 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.922 0.391 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m -86.19 -46.82 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.69 65.94 0.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -82.14 122.27 27.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -79.9 84.19 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.0 158.25 10.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -92.32 38.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 0.0 111.144 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.48 -179.6 16.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.43 74.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.492 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -87.16 40.86 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.46 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 4.6 p-80 -77.57 128.24 33.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CE2' ' HE3' ' A' ' 25' ' ' LYS . 51.3 m-85 -97.84 123.09 41.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -99.2 132.24 44.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 t -58.84 126.97 29.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 16' ' ' THR . 3.1 m -83.36 22.85 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 49.3 mt-10 -123.98 -52.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 24.9 p -108.62 -38.45 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.86 21.33 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.431 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 25.1 tttt -80.74 124.47 29.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.96 129.66 36.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.581 ' CE1' HD13 ' A' ' 28' ' ' LEU . 59.8 m-85 -122.45 136.82 54.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t -80.68 9.46 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -142.31 110.63 6.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HE3' ' CE2' ' A' ' 13' ' ' PHE . 50.1 tttt -49.81 -42.54 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.5 p -66.11 -41.55 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.2 m -58.12 -54.81 42.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.581 HD13 ' CE1' ' A' ' 22' ' ' PHE . 9.0 tp -51.67 -52.5 47.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -44.6 -33.49 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.9 mtt -78.01 -31.16 50.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.838 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.7 t60 -72.64 -45.47 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -49.12 -31.64 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -51.98 -29.95 22.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 31' ' ' HIS . 5.9 pt -63.08 -29.48 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 90.7 m-70 -81.22 -37.56 28.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -97.11 13.73 28.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.97 -91.76 0.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -97.25 133.87 41.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.412 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -145.72 152.73 49.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.74 160.87 48.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 40' ' ' PRO . 14.6 m -34.27 -64.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.75 -169.48 33.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.08 61.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.341 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -113.19 127.89 56.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -141.14 140.24 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.456 -179.993 . . . . . . . . 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 1.451 -0.303 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -89.95 155.24 19.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.379 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 p -89.8 51.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.69 -119.2 0.88 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p -166.89 126.29 1.46 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.3 p -50.16 102.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.99 39.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -116.06 38.66 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.147 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.74 -165.0 10.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.13 123.7 6.69 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -81.75 124.03 29.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.602 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 1.7 t60 -127.3 139.37 52.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.9 m-85 -105.28 122.0 45.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -105.57 146.04 30.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 t -76.48 114.31 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 16' ' ' THR . 50.4 m -64.96 -7.79 13.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 23.0 mm-40 -87.26 -60.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.69 -41.41 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.34 24.28 5.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -82.95 131.2 35.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.602 ' HB1' ' CD2' ' A' ' 12' ' ' HIS . . . -95.03 128.16 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 60.4 m-85 -115.18 136.71 52.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 23' ' ' THR . 85.1 m -65.58 -6.13 10.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HG3' ' C ' ' A' ' 23' ' ' THR . 31.0 mtm180 -143.85 137.09 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -70.95 -31.56 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.4 p -68.01 -41.81 81.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 83.4 m -67.99 -29.93 69.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' HIS . 4.7 tp -75.84 -49.65 17.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -42.56 -32.07 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.4 mtm -79.67 -33.26 41.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.717 ' O ' HG23 ' A' ' 34' ' ' ILE . 21.1 t60 -69.63 -41.55 75.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -53.39 -21.56 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -63.36 -24.89 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.2 pt -68.38 -10.61 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.1 m-70 -107.88 -30.02 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.4 p -62.05 -40.42 95.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.85 -152.84 17.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -103.37 163.89 11.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -86.42 138.16 34.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -17.73 37.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -86.35 137.14 32.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . 91.96 96.47 1.34 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.5 Cg_endo -69.76 -10.45 28.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.3 p -123.09 122.8 39.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.2 p -109.66 85.33 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.081 -0.844 . . . . 0.0 112.472 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_