data_1wen_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 1wen _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 ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.851 0.271 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 22' ' ' HIS . 34.2 p -98.99 147.32 25.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -127.72 -75.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t -54.99 161.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mp -55.9 -30.51 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.4 m -49.92 -17.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.403 ' C ' HG23 ' A' ' 17' ' ' THR . 51.3 m-70 62.51 37.88 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -121.66 166.07 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -69.45 177.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.9 p -63.84 130.58 44.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 2.7 p90 -171.19 161.31 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.35 179.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.88 133.52 50.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.1 mtp -134.49 168.09 19.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.585 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -136.69 172.12 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.76 122.02 5.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.0 t -62.2 133.4 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.362 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.454 ' OD2' ' CZ ' ' A' ' 58' ' ' PHE . 11.4 t70 -67.0 -36.43 82.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -53.51 119.26 17.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.22 34.92 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.617 2.212 . . . . 0.0 112.322 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.97 -39.73 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 t -39.47 129.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.6 m -83.51 -43.67 15.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.02 -64.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 0.9 OUTLIER 58.42 37.99 25.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.3 m95 -165.72 123.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -145.34 151.88 39.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -79.39 140.88 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.6 m-85 -52.61 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.33 -31.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.9 m -78.71 -49.29 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 48' ' ' GLY . 30.6 m -83.19 35.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.17 46.97 0.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.53 121.08 42.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 m -86.31 -30.75 22.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.5 p -142.23 169.08 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -74.77 111.78 14.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.493 0.663 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 130.8 20.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -78.71 145.35 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.92 -128.03 9.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -113.3 152.43 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.585 ' CE3' HG13 ' A' ' 30' ' ' ILE . 61.9 t90 -143.15 130.23 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CZ ' ' OD2' ' A' ' 33' ' ' ASP . 17.9 m-85 -109.1 123.05 48.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.562 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 14.7 p -52.72 154.03 5.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.741 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 7.15 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -107.13 -19.93 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.2 m -97.85 -55.85 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.822 -179.809 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.839 0.266 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.418 HG21 ' C ' ' A' ' 22' ' ' HIS . 11.4 p -122.36 124.96 44.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -104.98 -70.91 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 22.4 t -39.76 160.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD2' ' HD2' ' A' ' 61' ' ' ARG . 5.0 mp -62.43 -42.58 99.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -54.62 -12.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.418 ' C ' HG21 ' A' ' 17' ' ' THR . 93.4 m-70 65.93 54.49 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -117.62 170.14 9.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.83 165.58 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -73.37 91.16 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 8.0 p90 -129.02 171.02 12.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.88 -178.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.13 138.13 57.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.355 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 73.9 mtp -136.09 164.93 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.534 HD13 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -129.63 164.66 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.69 109.93 1.93 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.5 t -45.71 155.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.51 -35.04 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -51.36 124.48 23.92 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -19.0 36.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -82.46 -36.77 26.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.9 t -39.69 126.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 m -83.16 -43.63 15.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -70.97 -68.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 1.6 mt-10 62.89 35.43 13.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.495 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.6 m95 -164.29 121.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 16.4 m-85 -145.54 157.68 43.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -87.1 144.65 26.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.5 m-85 -56.84 -62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.17 -51.78 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.12 -55.14 30.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' GLY . 26.9 m -83.4 34.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.4 64.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.414 ' CD1' HG23 ' A' ' 47' ' ' VAL . 11.5 mt -120.44 87.86 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 t -56.31 -32.86 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.6 p -152.68 156.71 39.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.38 122.18 8.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 130.79 20.09 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.404 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 54' ' ' ARG . 21.3 ttp-105 -74.96 147.36 40.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.55 177.16 6.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -47.76 136.68 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.534 ' CH2' HD13 ' A' ' 30' ' ' ILE . 70.9 t90 -124.93 126.92 46.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.25 123.61 50.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.53 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 12.6 p -48.68 153.91 1.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.2 2.34 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HD2' ' CD2' ' A' ' 20' ' ' LEU . 9.0 mtp-105 -103.87 -21.11 13.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 88.0 m -98.27 -45.14 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.808 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.884 0.285 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 22' ' ' HIS . 12.4 p -143.26 132.05 22.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -119.27 -67.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 6.5 t -45.82 160.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.486 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.2 mp -55.84 -47.63 76.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 p -51.05 -16.59 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 98.4 m-70 64.14 54.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -114.34 163.36 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m -80.71 156.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -44.37 101.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -143.65 153.96 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.67 -167.5 3.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 27.9 mt-10 -75.61 139.13 41.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 82.5 mtp -133.61 169.26 17.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.561 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -143.5 163.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.02 120.83 5.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.2 t -53.42 149.44 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.494 ' HB3' ' CE1' ' A' ' 58' ' ' PHE . 6.2 t70 -97.39 30.2 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -118.85 121.0 30.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.88 12.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.35 -21.38 15.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.97 127.17 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 t -78.89 -46.49 18.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.538 ' CD1' ' NH2' ' A' ' 61' ' ' ARG . 96.6 mt -72.4 -63.69 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 36.7 tt0 55.44 43.51 28.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 70.4 m95 -169.46 123.75 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 16.3 m-85 -145.03 178.52 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -107.97 141.18 40.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.7 m-85 -52.73 -64.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.32 -46.95 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.26 -52.07 66.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 49' ' ' LEU . 27.7 m -84.52 31.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.49 64.08 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' HG22 ' A' ' 47' ' ' VAL . 12.0 mt -120.29 93.01 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.2 t -55.78 -39.87 71.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.0 p -145.0 165.84 27.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -54.17 118.06 14.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 124.06 10.71 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -75.69 152.44 37.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.12 -152.3 38.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 58' ' ' PHE . 5.7 ptpp? -87.59 126.6 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 92.5 t90 -109.13 134.96 51.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.494 ' CE1' ' HB3' ' A' ' 33' ' ' ASP . 84.9 m-85 -122.3 124.09 42.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 14.0 p -48.43 153.85 1.25 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 5.18 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.538 ' NH2' ' CD1' ' A' ' 39' ' ' ILE . 38.2 mtm180 -104.37 -23.31 13.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.6 m -94.84 -46.81 6.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.823 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.847 0.27 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.1 p -116.74 157.53 25.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -131.3 -74.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 t -53.82 158.87 1.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mp -52.15 -34.72 46.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.6 m -49.92 -20.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 62.33 47.84 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -124.7 178.3 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.2 m -75.28 166.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -66.31 98.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 4.9 p90 -135.78 168.41 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.66 176.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 28.3 mt-10 -59.67 135.05 57.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 61.4 mtp -137.28 162.11 34.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.94 172.55 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -120.18 102.04 0.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.544 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' GLY . 43.9 t -37.59 135.87 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.521 ' OD2' ' CZ ' ' A' ' 58' ' ' PHE . 35.1 t0 -62.24 -41.7 98.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -55.53 118.47 19.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -21.77 33.21 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.53 -36.1 52.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -42.8 112.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.6 p -61.76 -48.47 80.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.4 mt -67.35 -62.6 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 35.9 tt0 49.38 41.69 21.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 82.5 m95 -167.81 124.23 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -143.64 176.66 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -100.83 134.55 43.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 28' ' ' GLU . 3.8 m-85 -47.37 -64.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.06 -47.71 8.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.2 m -59.69 -53.7 54.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.462 HG23 ' CG ' ' A' ' 49' ' ' LEU . 28.6 m -81.54 36.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 32.47 48.72 0.34 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.536 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.462 ' CG ' HG23 ' A' ' 47' ' ' VAL . 11.8 mt -111.73 88.99 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.5 m -56.5 -38.81 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 p -145.17 159.55 42.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -52.81 117.33 10.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.634 0.731 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.02 32.38 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -89.49 165.34 14.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.62 -143.41 13.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -89.34 170.76 10.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.567 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 65.8 t90 -148.86 127.53 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CZ ' ' OD2' ' A' ' 33' ' ' ASP . 58.4 m-85 -107.8 117.03 33.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.567 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 13.9 p -43.71 155.7 0.31 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.724 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.5 Cg_endo -69.76 3.8 2.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.636 2.224 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -103.9 -24.57 13.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.6 m -95.72 -43.53 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.845 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.205 0 CA-C-O 120.839 0.266 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 22' ' ' HIS . 17.1 p -126.4 130.12 50.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.402 ' C ' HG21 ' A' ' 39' ' ' ILE . 9.2 m-85 -109.83 -69.91 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.1 t -44.65 165.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.0 mp -67.46 -40.23 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 p -52.68 -14.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 96.8 m-70 65.46 52.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.85 164.41 16.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 m -77.87 162.06 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -52.75 121.06 6.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -170.81 158.71 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.19 179.05 1.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.14 132.86 55.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.7 mtp -137.67 168.89 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.557 HG13 ' CZ3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -139.32 167.29 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.0 100.37 0.93 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.8 t -38.16 134.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' A' ' 57' ' ' TRP . 1.7 m-20 -59.92 -39.13 84.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -60.8 117.65 27.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.85 30.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.8 m-20 -75.15 -41.65 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.6 t -36.16 124.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -69.46 -51.25 37.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLU . 41.2 mt -69.5 -54.02 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 3.3 pt-20 36.36 37.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 68.5 m95 -165.58 112.67 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -136.5 174.72 10.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -102.37 141.31 35.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.3 m-85 -52.81 -64.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.18 -46.97 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.2 m -62.29 -51.97 65.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 49' ' ' LEU . 30.8 m -84.04 31.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.56 61.91 0.43 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.462 ' CD1' HG22 ' A' ' 47' ' ' VAL . 11.7 mt -115.55 90.79 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 t -54.68 -32.76 59.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -147.85 174.76 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -76.85 122.98 87.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.492 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.4 Cg_endo -69.74 146.66 60.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -105.05 163.19 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.23 -87.96 0.69 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -146.42 142.63 28.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.557 ' CZ3' HG13 ' A' ' 30' ' ' ILE . 87.8 t90 -135.11 116.44 14.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 33' ' ' ASP . 76.5 m-85 -104.42 117.54 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.421 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.6 p -42.44 153.95 0.29 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.667 0.746 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 4.49 2.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.244 . . . . 0.0 112.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.7 mtp-105 -104.72 -22.57 13.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.1 m -95.47 -48.42 5.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.806 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.87 0.279 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.424 HG21 ' C ' ' A' ' 22' ' ' HIS . 19.5 p -81.28 139.62 35.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -117.17 -73.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 7.6 t -41.71 162.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 4.9 mp -59.35 -46.55 88.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 16.1 p -52.12 -13.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 80.5 m-70 65.21 55.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -117.67 173.2 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 m -93.75 160.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -47.24 110.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -150.31 156.33 41.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.813 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.36 -145.42 27.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -94.02 132.59 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.5 mtp -136.98 155.42 49.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.538 HD13 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -125.44 166.51 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.54 106.6 1.6 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.53 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 t -43.08 147.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -82.8 -37.47 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -50.54 122.37 15.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -22.34 32.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -77.9 -38.19 46.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.0 t -39.46 133.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -90.09 -42.41 11.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.83 -63.89 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 2.4 mt-10 57.28 34.63 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 91.9 m95 -165.75 119.4 1.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 22.2 m-85 -145.67 141.86 28.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -74.0 138.48 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.533 ' CD2' ' HB3' ' A' ' 49' ' ' LEU . 4.5 m-85 -49.99 -66.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.88 -45.71 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.43 -51.16 71.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.63 26.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.77 68.14 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.533 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 10.4 mt -112.74 91.72 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.9 m -59.63 -36.92 77.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -141.87 160.27 40.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.56 125.58 89.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 102.68 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.84 79.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.13 -165.83 26.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -59.17 136.36 57.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.313 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.561 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 86.4 t90 -141.03 115.0 9.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -98.17 110.03 22.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.0 p -40.17 154.6 0.19 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 9.05 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.472 ' HD2' ' CD2' ' A' ' 20' ' ' LEU . 46.8 mtp180 -110.02 -24.89 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.9 m -92.47 -44.18 8.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.797 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.221 0 CA-C-O 120.872 0.28 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.412 HG21 ' C ' ' A' ' 22' ' ' HIS . 20.0 p -123.98 141.06 52.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.442 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 11.2 m-85 -118.95 -68.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 7.6 t -43.44 162.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 4.7 mp -59.7 -47.28 86.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' CG ' ' A' ' 23' ' ' GLN . 14.5 p -52.6 -13.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.412 ' C ' HG21 ' A' ' 17' ' ' THR . 38.4 m-70 64.2 55.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.412 ' CG ' ' SG ' ' A' ' 21' ' ' CYS . 4.4 mm100 -111.54 170.38 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.63 161.86 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -56.06 102.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.9 p90 -145.82 166.23 26.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.92 -179.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.457 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.09 140.73 58.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 59.6 mtp -136.77 156.52 48.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.572 HD13 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -125.13 167.16 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.22 105.67 1.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.536 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.9 t -45.93 158.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -98.29 -35.29 10.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 36' ' ' ASP . 33.3 t30 -47.22 124.04 8.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -18.56 36.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.406 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 1.5 m-20 -82.6 -38.18 23.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.426 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 2.0 t -39.16 134.29 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.7 m -93.2 -41.01 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 43.2 mt -70.65 -65.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.562 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 7.0 mm-40 67.5 28.42 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 96.5 m95 -165.17 131.45 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 17.6 m-85 -145.88 -179.42 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 30.8 m80 -110.41 123.87 50.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.0 m-85 -37.1 -70.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.37 -57.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.1 m -49.36 -52.47 28.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.4 m -83.54 25.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.61 59.8 2.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.1 mt -113.94 82.8 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t -47.82 -40.65 21.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.9 p -141.14 167.98 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -59.98 128.6 87.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 116.03 4.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -67.92 146.02 54.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.47 -115.44 5.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -108.43 164.7 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.572 ' CH2' HD13 ' A' ' 30' ' ' ILE . 70.4 t90 -152.32 132.55 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.7 118.99 33.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.5 p -45.44 155.23 0.46 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.98 2.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.378 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 9.6 mtm105 -104.64 -21.51 13.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.9 m -100.04 -38.31 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.856 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.872 0.28 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.43 HG21 ' C ' ' A' ' 22' ' ' HIS . 7.9 p -108.88 127.34 53.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -108.65 -70.6 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 13.7 t -40.25 160.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 3.8 mp -60.63 -44.3 96.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 p -53.23 -13.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.43 ' C ' HG21 ' A' ' 17' ' ' THR . 94.0 m-70 63.58 54.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -111.85 173.18 6.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.43 157.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -48.44 109.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -159.82 161.79 34.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.48 -176.59 0.63 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.28 134.65 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 84.8 mtp -139.0 164.56 29.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.563 HD11 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -136.98 167.39 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -116.06 101.02 0.97 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' GLY . 17.9 t -34.79 136.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.567 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -64.12 -39.83 94.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -55.47 120.56 32.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.86 29.23 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' CYS . 5.0 t70 -75.01 -39.68 61.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ASP . 5.5 t -37.36 114.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.2 m -66.12 -44.94 82.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 58.6 mt -71.65 -61.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.588 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 55.5 tt0 46.72 44.67 14.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 73.4 m95 -169.52 117.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -143.46 157.97 44.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -88.54 134.39 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.8 m-85 -45.82 -69.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.59 -49.44 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.1 m -53.7 -50.59 65.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 48' ' ' GLY . 34.0 m -93.04 34.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.13 70.98 0.14 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.449 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 9.6 mt -116.62 94.41 4.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.4 m -58.91 -36.69 75.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 p -150.8 168.91 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -65.81 117.0 37.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.486 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.6 Cg_endo -69.76 96.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.737 2.292 . . . . 0.0 112.314 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -58.29 158.33 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.65 -96.34 1.76 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -137.63 160.1 40.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.563 ' CH2' HD11 ' A' ' 30' ' ' ILE . 86.1 t90 -155.69 115.01 3.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 33' ' ' ASP . 78.5 m-85 -106.55 121.79 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.1 p -47.76 154.53 0.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 6.52 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -107.99 -20.25 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.0 m -101.79 -35.54 9.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.823 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.873 0.28 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.419 HG21 ' C ' ' A' ' 22' ' ' HIS . 21.4 p -131.1 121.61 25.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -102.04 -68.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 21.3 t -40.8 159.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.9 mp -62.02 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 23' ' ' GLN . 15.0 p -52.62 -14.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 96.0 m-70 66.74 54.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.402 ' CG ' ' SG ' ' A' ' 21' ' ' CYS . 9.4 mm-40 -114.22 166.4 11.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 m -80.53 160.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -53.79 102.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -147.48 164.0 34.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 178.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.95 128.11 34.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.4 mtp -132.3 160.89 34.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.504 ' CG1' ' CZ3' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -126.66 169.1 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.59 99.3 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.1 t -39.87 132.1 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.32 -38.73 88.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.531 ' ND2' ' OD2' ' A' ' 36' ' ' ASP . 10.8 t30 -50.36 119.73 11.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 -32.01 19.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.531 ' OD2' ' ND2' ' A' ' 34' ' ' ASN . 3.7 p-10 -68.38 -41.27 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.7 t -34.75 137.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 m -88.37 -45.5 9.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -67.98 -65.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.566 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 4.3 mt-10 60.97 30.88 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 91.0 m95 -166.64 128.23 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 39.6 m-85 -145.76 178.43 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -109.09 128.04 54.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.452 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.2 m-85 -42.08 -39.44 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.39 -56.39 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.22 -47.82 54.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.72 -41.94 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.66 34.11 3.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.517 HD13 ' CE2' ' A' ' 57' ' ' TRP . 26.1 mt -91.48 104.15 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.434 HG21 ' N ' ' A' ' 51' ' ' THR . 7.9 t -59.23 -37.14 76.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.434 ' N ' HG21 ' A' ' 50' ' ' THR . 22.1 m -147.02 148.67 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -43.65 117.17 2.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.481 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 54.0 Cg_endo -69.78 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -59.89 162.55 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.5 -122.08 10.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -108.64 143.25 37.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.517 ' CE2' HD13 ' A' ' 49' ' ' LEU . 89.7 t90 -140.66 133.65 29.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -120.88 125.4 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.497 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.1 p -50.55 154.93 2.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.3 Cg_endo -69.73 10.26 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.385 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 59' ' ' CYS . 12.5 mtp-105 -109.96 -27.8 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 78.3 m -91.78 -45.52 8.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.819 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.846 0.269 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.406 HG22 ' C ' ' A' ' 22' ' ' HIS . 24.3 p -106.3 133.98 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' CYS . 68.5 m-85 -116.91 -68.57 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 13.4 t -39.73 161.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 5.2 mp -59.3 -43.75 92.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.8 p -56.66 -11.75 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.406 ' C ' HG22 ' A' ' 17' ' ' THR . 43.7 m-70 63.45 54.39 1.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -111.61 165.35 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.2 m -81.24 160.26 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 t -52.3 101.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.3 p90 -147.44 167.67 23.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.48 -173.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -68.44 133.99 49.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.7 mtp -138.12 167.61 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.568 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -138.26 168.75 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.087 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.36 100.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.516 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.5 t -40.35 136.18 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.23 -41.55 99.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -52.64 118.82 13.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -26.6 27.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.5 m-20 -74.6 -41.33 60.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.7 t -37.12 119.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.4 p -69.95 -46.25 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' GLU . 29.6 mt -72.37 -54.02 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 4.0 pt-20 35.62 37.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 72.9 m95 -164.76 115.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -136.3 177.92 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -106.66 134.52 49.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 6.7 m-85 -48.09 -42.63 29.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.12 -46.34 77.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.2 -50.05 75.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 48' ' ' GLY . 28.8 m -74.01 -30.06 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' HG22 ' A' ' 47' ' ' VAL . . . 92.51 33.41 7.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.4 119.65 25.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.8 m -72.69 -43.48 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.5 p -142.43 152.4 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -46.34 121.28 6.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.515 0.674 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 146.58 60.83 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.651 2.234 . . . . 0.0 112.369 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -102.24 173.57 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.41 -109.33 1.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.59 130.24 50.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.568 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.4 t90 -117.27 117.03 28.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -102.63 122.14 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.542 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 16.5 p -49.0 154.06 1.38 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.02 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.6 mtp-105 -105.85 -28.35 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.4 m -89.22 -44.74 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.827 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.878 0.283 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.7 p -94.86 147.86 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -128.18 -68.1 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 36.6 t -41.34 162.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 5.1 mp -62.27 -36.68 82.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -63.86 -4.84 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 64.04 54.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -121.16 165.19 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.3 m -93.19 174.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 p -51.3 124.12 11.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -170.25 138.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.58 -151.64 52.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.422 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -86.08 131.55 34.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.3 mtp -136.94 164.8 27.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.567 HD12 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -138.21 169.68 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.75 108.59 1.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 14.5 t -43.27 136.83 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.79 -36.3 75.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -52.49 123.46 29.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.589 0.709 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -21.34 33.69 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' CYS . 36.0 t0 -79.86 -36.86 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.0 t -37.65 110.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.9 m -66.83 -43.47 83.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.01 -65.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.535 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 35.2 tt0 58.23 45.17 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.535 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 76.5 m95 -167.93 123.39 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 14.2 m-85 -145.51 167.89 21.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -99.61 132.91 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.459 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.6 m-85 -45.56 -58.03 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.5 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.3 m -72.82 -37.74 67.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' GLY . 30.7 m -100.1 29.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.35 68.43 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.8 mt -120.93 96.28 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.3 p -57.07 -36.03 70.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 t -147.92 172.14 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -67.74 118.15 54.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.702 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 135.74 31.2 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.724 2.282 . . . . 0.0 112.279 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 1.6 tmm_? -88.0 149.71 23.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 54' ' ' ARG . . . 84.49 -117.57 4.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -116.73 165.69 12.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.567 ' CH2' HD12 ' A' ' 30' ' ' ILE . 77.7 t90 -147.75 121.07 8.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -104.24 104.79 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -38.73 154.29 0.15 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.722 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 4.11 2.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.471 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 16.7 mtm105 -105.15 -20.11 13.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.7 m -94.94 -54.3 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.883 0.284 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.434 HG22 ' C ' ' A' ' 22' ' ' HIS . 22.5 p -100.45 131.55 46.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.402 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 45.4 m-85 -113.44 -67.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 12.1 t -41.94 162.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 4.6 mp -60.65 -44.98 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 20.6 p -54.46 -11.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.434 ' C ' HG22 ' A' ' 17' ' ' THR . 69.7 m-70 63.8 54.22 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -112.76 166.32 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.9 162.5 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t -56.03 101.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.1 p90 -152.56 161.37 42.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.5 -178.04 1.69 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.96 129.51 40.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.6 mtp -134.82 166.6 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.56 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -138.04 162.76 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -114.43 98.3 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' GLY . 12.2 t -36.15 146.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.75 -36.51 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.64 120.7 55.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -30.27 22.29 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' CYS . 83.6 m-20 -69.88 -40.02 75.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' ASP . 8.2 t -32.84 120.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -62.26 -51.77 66.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 54.9 mt -73.42 -69.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.604 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 10.6 tm-20 66.08 28.3 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 57.0 m95 -165.46 118.67 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.04 176.05 9.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -101.72 148.54 25.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.9 m-85 -58.74 -66.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.64 -42.51 7.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.9 m -65.09 -45.86 83.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLY . 22.1 m -92.71 34.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.85 65.39 0.39 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.418 ' CD1' HG22 ' A' ' 47' ' ' VAL . 11.3 mt -122.58 88.84 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 p -51.26 -39.94 57.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.4 t -144.88 168.8 19.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -66.67 117.02 40.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 104.35 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -64.17 102.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . 124.32 168.27 12.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' GLY . 29.3 mttm -36.51 140.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.56 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.3 t90 -139.32 125.62 20.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -116.35 119.64 36.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.517 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.5 p -46.17 155.19 0.55 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.2 Cg_endo -69.8 12.03 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 61' ' ' ARG . 14.0 mtp-105 -112.3 -28.59 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.5 m -90.69 -48.41 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.771 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.875 0.281 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.416 HG21 ' C ' ' A' ' 22' ' ' HIS . 21.3 p -103.55 132.67 49.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 5.4 m-85 -113.49 -67.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.9 t -44.8 164.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 5.1 mp -65.48 -38.92 91.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.4 p -55.58 -12.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.416 ' C ' HG21 ' A' ' 17' ' ' THR . 78.1 m-70 63.28 47.01 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -114.0 168.82 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 m -75.42 164.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 t -57.2 125.07 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.7 p90 -169.06 162.8 11.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.09 175.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -62.32 137.74 58.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.8 mtp -134.16 167.08 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.559 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -134.72 165.58 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.21 105.17 1.72 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.8 t -43.57 133.69 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -35.93 82.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -56.65 117.73 18.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -25.38 28.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' CYS . 66.0 m-20 -75.08 -39.13 60.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ASP . 7.2 t -36.52 151.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 m -104.2 -42.91 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.3 mt -70.59 -51.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 1.4 mt-10 40.63 37.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 84.7 m95 -166.85 122.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 29.0 m-85 -145.92 179.97 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 23.9 m80 -108.87 132.24 54.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.8 m-85 -43.47 -68.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.66 -52.59 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.4 m -54.61 -53.42 54.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 48' ' ' GLY . 34.6 m -83.18 31.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.64 60.48 0.51 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 mt -115.13 83.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.883 0.373 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 m -46.07 -40.85 11.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.5 p -145.23 162.86 36.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -51.17 121.25 15.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.52 51.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -91.83 179.45 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.78 -125.75 9.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 17.3 pttm -106.51 138.31 42.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.56 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 85.2 t90 -124.52 119.65 29.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CE2' ' HD2' ' A' ' 56' ' ' LYS . 90.4 m-85 -105.34 119.84 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.56 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 12.2 p -47.97 154.48 0.99 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.25 6.66 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.282 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.46 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 14.4 mmm180 -98.01 -22.86 16.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.8 m -95.36 -55.26 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.817 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.863 0.276 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.42 HG21 ' C ' ' A' ' 22' ' ' HIS . 6.5 p -117.52 133.86 55.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -115.74 -70.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 12.8 t -40.78 161.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 5.6 mp -60.4 -45.2 94.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 p -54.36 -13.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.42 ' C ' HG21 ' A' ' 17' ' ' THR . 94.1 m-70 65.96 55.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -115.21 175.48 5.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -88.2 165.55 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -57.99 100.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.4 p90 -145.33 166.12 26.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.41 -176.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 68.1 mm-40 -64.72 131.86 48.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.5 mtp -132.87 169.5 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.527 HD12 ' CH2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -141.15 161.63 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -112.81 99.5 1.03 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' GLY . 19.4 t -36.02 146.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.606 ' OD1' ' CD1' ' A' ' 58' ' ' PHE . 1.1 p30 -73.44 -45.65 53.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -49.91 123.1 14.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -29.74 23.27 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' CYS . 26.6 t0 -70.89 -41.9 70.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.9 t -34.99 111.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 t -66.26 -42.55 88.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.6 mt -70.21 -65.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.569 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 30.9 tt0 48.12 40.93 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 71.6 m95 -169.37 119.3 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -142.16 176.91 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -107.95 130.73 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.475 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.4 m-85 -42.64 -65.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.08 -39.16 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 m -68.6 -38.74 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.8 m -99.08 27.87 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 37.81 65.59 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -119.83 98.9 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.5 p -59.19 -40.14 84.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 m -145.2 156.8 44.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -54.19 121.78 32.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.0 43.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -99.69 110.39 22.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.45 -167.25 12.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.461 ' HD2' ' CZ ' ' A' ' 58' ' ' PHE . 23.0 pttp -67.42 125.63 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.719 0.295 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.527 ' CH2' HD12 ' A' ' 30' ' ' ILE . 86.4 t90 -120.27 109.61 15.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CD1' ' OD1' ' A' ' 33' ' ' ASP . 76.1 m-85 -94.14 103.85 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.481 ' C ' ' H ' ' A' ' 61' ' ' ARG . 12.7 p -36.72 153.98 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.651 0.739 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 13.87 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 59' ' ' CYS . 13.8 mtp-105 -117.15 -22.49 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.7 m -96.16 -34.24 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.904 0.294 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -116.4 139.01 50.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 73.9 m-85 -122.71 -57.73 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' CB ' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t -55.12 160.12 2.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.54 -36.53 82.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -60.97 -8.49 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 63.79 55.0 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -121.82 168.85 11.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.9 169.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 m -73.03 95.32 2.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -127.77 172.05 11.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.57 -171.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -69.67 135.04 49.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.426 ' HE3' ' CD2' ' A' ' 43' ' ' HIS . 59.4 mtp -138.4 155.66 48.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.556 HD11 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -120.97 168.49 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.44 109.83 1.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.8 t -45.59 156.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -97.38 -29.79 13.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -53.92 124.19 42.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -21.41 33.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.16 -32.23 33.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.2 t -40.5 138.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 p -96.66 -40.39 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 39.3 mt -78.78 -62.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 2.7 mt-10 60.61 37.78 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 84.6 m95 -167.27 121.1 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -145.43 165.24 29.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.426 ' CD2' ' HE3' ' A' ' 29' ' ' MET . 25.8 m80 -93.81 138.91 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.811 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.1 m-85 -50.21 -52.73 33.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.11 -57.46 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.66 -41.83 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 48' ' ' GLY . 30.8 m -97.27 27.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.42 70.63 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.98 99.47 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 t -62.88 -24.28 67.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.2 t -157.27 168.65 26.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -63.95 124.69 85.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 101.07 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -65.72 149.77 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.96 -116.7 4.52 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -110.93 153.93 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.556 ' CH2' HD11 ' A' ' 30' ' ' ILE . 88.7 t90 -146.53 120.22 9.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -104.63 106.52 17.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.546 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.7 p -38.48 154.49 0.14 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 3.47 2.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -104.4 -21.16 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.2 m -95.04 -46.33 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.825 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.868 0.278 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.42 HG21 ' C ' ' A' ' 22' ' ' HIS . 7.6 p -84.25 131.9 34.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -108.42 -71.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 41.0 t -44.59 162.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 3.8 mp -64.7 -35.87 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 30.6 p -62.27 -5.44 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.42 ' C ' HG21 ' A' ' 17' ' ' THR . 82.3 m-70 64.12 55.05 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -127.23 164.74 21.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -94.97 168.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 t -63.54 108.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -126.0 -19.49 4.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -140.8 -155.96 6.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -65.1 131.79 47.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.357 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.7 mtp -137.59 166.5 23.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.574 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.06 163.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.98 101.03 1.02 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 29.7 t -38.5 127.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.81 -37.59 71.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -56.33 119.34 27.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.26 32.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -77.53 -35.85 52.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -40.21 114.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -66.28 -46.46 76.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.8 mt -72.32 -63.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.551 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 30.5 tt0 52.4 44.18 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 78.3 m95 -168.02 122.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 10.9 m-85 -145.53 166.4 25.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -96.0 128.24 42.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.3 m-85 -38.54 -64.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.44 -58.1 4.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.6 m -45.48 -54.58 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 49' ' ' LEU . 27.3 m -83.91 29.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.26 58.03 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 51' ' ' THR . 11.1 mt -113.51 -45.67 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.961 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.5 p 38.27 27.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' LEU . 8.1 m -165.96 162.23 17.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' N ' HG21 ' A' ' 51' ' ' THR . 33.2 tttt -97.67 104.78 22.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 86.88 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.5 136.45 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.53 -88.06 0.49 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -155.28 134.83 12.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.337 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.574 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.8 t90 -129.6 147.66 51.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -132.54 125.33 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.568 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 13.9 p -50.94 154.57 2.43 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 6.7 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.272 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' H ' ' C ' ' A' ' 59' ' ' CYS . 72.1 mtp85 -106.6 -24.63 12.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -95.49 -49.77 5.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.842 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.908 0.295 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.416 HG23 ' C ' ' A' ' 22' ' ' HIS . 17.2 p -108.23 130.95 55.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.464 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 4.8 m-85 -111.45 -70.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.2 t -40.94 162.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.418 ' CD2' ' HD2' ' A' ' 61' ' ' ARG . 5.0 mp -64.57 -36.31 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -57.73 -11.86 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.416 ' C ' HG23 ' A' ' 17' ' ' THR . 89.8 m-70 62.68 46.15 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -108.87 -176.04 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 m -92.94 165.57 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 t -62.06 116.83 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 3.2 p90 -163.06 167.86 21.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.71 -179.37 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -63.35 133.71 54.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 82.6 mtp -138.35 166.57 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.514 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -136.42 172.16 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -124.08 104.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.2 t -39.0 153.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -107.13 32.09 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -118.34 128.57 25.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -19.06 36.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -84.65 -25.14 28.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 t -55.37 128.32 33.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -84.43 -44.83 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 22.8 mt -78.29 -60.26 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.589 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 33.4 tt0 58.82 41.79 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 68.9 m95 -168.91 124.5 0.91 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -144.85 179.89 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -106.38 145.71 31.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.02 -42.5 76.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.14 52.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -53.57 -50.05 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.2 m -74.73 -35.25 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.17 33.58 5.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.414 HD13 ' NE1' ' A' ' 57' ' ' TRP . 19.4 mt -94.45 104.26 16.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.9 p -58.82 -45.47 89.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -137.39 140.65 41.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -39.07 124.33 1.27 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.9 Cg_endo -69.7 156.5 63.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.254 . . . . 0.0 112.369 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 55' ' ' GLY . 26.6 ttp180 -115.59 159.29 21.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' A' ' 54' ' ' ARG . . . 73.9 -95.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -135.24 136.91 42.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 88.3 t90 -132.04 115.71 16.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -104.38 116.92 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.536 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.5 p -43.98 154.54 0.37 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HD2' ' CD2' ' A' ' 20' ' ' LEU . 29.1 mtp180 -103.95 -22.7 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.0 m -98.69 -44.54 6.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.8 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.835 0.265 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.423 HG21 ' C ' ' A' ' 22' ' ' HIS . 16.3 p -107.81 140.97 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.64 -62.25 1.32 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 9.8 t -52.15 157.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 mp -54.85 -45.07 74.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 p -53.55 -14.16 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.423 ' C ' HG21 ' A' ' 17' ' ' THR . 39.5 m-70 63.03 54.92 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -116.45 163.45 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 m -79.48 162.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -52.58 116.14 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -161.0 156.36 24.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.94 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.21 -161.76 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.24 138.03 36.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mtp -137.41 166.88 22.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.571 HD12 ' CH2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -138.5 168.53 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -116.06 94.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' GLY . 14.1 t -34.75 141.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -76.18 -40.58 52.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -48.46 119.96 8.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -14.52 36.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -85.05 -34.49 22.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -46.75 108.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -64.23 -43.84 93.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.401 HD11 ' NH1' ' A' ' 61' ' ' ARG . 58.8 mt -70.33 -61.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.574 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 33.4 tt0 53.35 41.73 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.574 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 75.3 m95 -168.72 120.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -142.28 172.84 12.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -101.19 138.29 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.0 m-85 -50.5 -65.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.33 -49.32 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.64 -49.72 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' A' ' 48' ' ' GLY . 21.6 m -93.64 32.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 32.68 69.84 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' ' 47' ' ' VAL . 14.3 mt -116.28 90.15 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -57.0 -35.15 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 m -150.17 144.93 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.35 120.09 11.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.558 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.5 Cg_endo -69.73 125.5 12.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 11.3 mtm105 -77.27 148.2 35.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.34 -126.04 7.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -101.04 151.05 22.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.326 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.571 ' CH2' HD12 ' A' ' 30' ' ' ILE . 78.1 t90 -146.93 116.3 7.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.28 106.54 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.541 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 21.3 p -38.6 154.8 0.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.78 5.68 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' NH1' HD11 ' A' ' 39' ' ' ILE . 1.9 ttt-85 -104.14 -31.05 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.6 m -83.22 -54.29 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.797 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.835 0.265 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.408 HG21 ' C ' ' A' ' 22' ' ' HIS . 25.5 p -93.6 133.36 37.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 4.2 m-85 -115.02 -64.82 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.1 t -47.07 162.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 4.0 mp -62.66 -41.87 99.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.4 p -51.91 -15.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 96.6 m-70 63.64 50.32 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -115.64 164.27 14.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 m -74.27 156.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.0 t -49.04 121.78 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.55 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -166.99 158.38 12.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.94 178.8 1.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -67.65 136.06 53.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.2 mtp -133.82 168.34 18.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.556 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.82 164.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.05 105.95 1.86 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.8 t -46.72 147.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -82.26 -43.63 17.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -44.64 119.06 3.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.44 36.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -82.27 -34.43 28.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.0 t -42.4 134.56 2.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -89.46 -40.57 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.6 mt -73.29 -64.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 0.9 OUTLIER 54.55 36.89 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.5 m95 -165.31 122.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 21.4 m-85 -145.57 178.18 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -108.03 130.47 55.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.5 m-85 -40.17 -69.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.84 -54.74 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.59 -41.93 43.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.407 ' CG2' HD11 ' A' ' 49' ' ' LEU . 35.7 m -100.19 25.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.94 71.08 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD11 ' CG2' ' A' ' 47' ' ' VAL . 10.4 mt -120.0 93.54 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.6 m -56.62 -37.95 71.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 52' ' ' LYS . 10.2 m -150.75 146.92 26.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.4 ttmm -34.48 125.44 0.51 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.557 0.694 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 110.85 2.65 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.37 159.93 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.01 -91.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -139.99 172.44 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.556 ' CE3' HG13 ' A' ' 30' ' ' ILE . 90.5 t90 -164.6 125.13 2.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -112.03 109.11 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.528 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 7.8 p -39.44 155.35 0.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.0 Cg_endo -69.75 -2.19 9.74 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.471 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 14.9 mmm180 -98.8 -19.42 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.4 m -101.44 -42.54 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.195 0 CA-C-O 120.847 0.269 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -137.92 134.11 34.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -116.91 -68.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.458 ' CB ' ' CE1' ' A' ' 43' ' ' HIS . 50.0 t -40.36 158.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD2' ' HD2' ' A' ' 61' ' ' ARG . 3.9 mp -65.82 -31.24 72.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.51 -4.71 4.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 63.24 52.15 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -118.09 164.51 15.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 m -85.53 177.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.1 p -60.0 124.3 19.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.487 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.6 p90 -167.96 162.18 13.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.73 -175.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 131.76 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.7 mtp -127.32 169.1 13.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.574 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -138.93 158.88 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.73 111.52 3.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -45.42 159.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -113.91 35.05 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -121.94 128.53 25.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.706 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.92 35.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.84 -30.53 28.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 t -50.11 146.44 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.7 m -104.49 -43.8 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 82.7 mt -76.39 -59.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.557 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 2.2 mt-10 58.45 39.05 25.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 87.5 m95 -166.98 124.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -145.83 168.31 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.458 ' CE1' ' CB ' ' A' ' 19' ' ' CYS . 19.3 m80 -101.82 127.4 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.479 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 6.1 m-85 -36.66 -70.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.29 -46.74 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.5 m -61.56 -53.52 55.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 48' ' ' GLY . 16.2 m -83.79 27.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.3 62.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -107.54 86.65 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -51.55 -39.77 58.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -146.11 143.99 29.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -47.39 122.03 8.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.7 Cg_endo -69.75 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 141.95 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.64 -116.4 4.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -116.0 139.79 49.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.574 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.1 t90 -129.12 151.41 49.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -137.95 122.13 18.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.551 ' HA ' ' CZ2' ' A' ' 57' ' ' TRP . 12.6 p -47.73 155.01 0.84 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 6.97 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HD2' ' CD2' ' A' ' 20' ' ' LEU . 30.9 mtp85 -109.13 -21.67 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.0 m -101.63 -31.05 11.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.797 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -153.9 126.26 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -78.36 150.21 33.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -106.17 75.71 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.473 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 4' ' ' GLY . 18.4 t -34.82 123.91 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -75.38 -49.59 18.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.98 -81.14 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -148.16 130.1 15.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.18 145.39 30.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 172.45 12.61 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.8 m -51.64 175.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.2 152.56 18.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.27 3.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.371 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -43.46 -54.65 4.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -138.97 156.75 72.4 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.648 0.737 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.27 69.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 22' ' ' HIS . 34.2 p -98.99 147.32 25.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -127.72 -75.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t -54.99 161.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mp -55.9 -30.51 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.4 m -49.92 -17.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.403 ' C ' HG23 ' A' ' 17' ' ' THR . 51.3 m-70 62.51 37.88 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -121.66 166.07 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -69.45 177.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.9 p -63.84 130.58 44.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 2.7 p90 -171.19 161.31 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.35 179.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.88 133.52 50.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.1 mtp -134.49 168.09 19.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.585 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -136.69 172.12 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.76 122.02 5.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.0 t -62.2 133.4 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.362 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.454 ' OD2' ' CZ ' ' A' ' 58' ' ' PHE . 11.4 t70 -67.0 -36.43 82.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -53.51 119.26 17.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.22 34.92 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.617 2.212 . . . . 0.0 112.322 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.97 -39.73 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 t -39.47 129.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.6 m -83.51 -43.67 15.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.02 -64.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 0.9 OUTLIER 58.42 37.99 25.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.3 m95 -165.72 123.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -145.34 151.88 39.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -79.39 140.88 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.6 m-85 -52.61 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.33 -31.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.9 m -78.71 -49.29 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 48' ' ' GLY . 30.6 m -83.19 35.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.17 46.97 0.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.53 121.08 42.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 m -86.31 -30.75 22.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.5 p -142.23 169.08 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -74.77 111.78 14.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.493 0.663 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 130.8 20.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -78.71 145.35 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.92 -128.03 9.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -113.3 152.43 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.585 ' CE3' HG13 ' A' ' 30' ' ' ILE . 61.9 t90 -143.15 130.23 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CZ ' ' OD2' ' A' ' 33' ' ' ASP . 17.9 m-85 -109.1 123.05 48.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.562 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 14.7 p -52.72 154.03 5.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.741 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 7.15 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -107.13 -19.93 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.2 m -97.85 -55.85 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -44.55 -43.61 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.479 ' CD ' ' O ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -73.86 62.03 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.74 142.6 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.3 m -77.31 100.5 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.67 -157.32 8.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -3.54 12.28 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.655 2.237 . . . . 0.0 112.321 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.0 t -45.52 97.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -113.44 155.7 24.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.538 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -119.96 111.56 18.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.822 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 m -119.37 171.44 8.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.38 170.39 17.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 p -111.63 167.44 10.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -96.42 -45.45 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.98 157.39 20.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' MET . 68.1 m-20 -115.72 92.11 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.343 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -34.35 130.43 0.44 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.55 0.691 . . . . 0.0 110.902 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -178.66 2.44 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.82 176.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.1 150.21 54.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.51 14.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -86.87 -53.6 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.7 134.17 84.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 136.79 33.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.613 2.209 . . . . 0.0 112.353 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.418 HG21 ' C ' ' A' ' 22' ' ' HIS . 11.4 p -122.36 124.96 44.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -104.98 -70.91 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 22.4 t -39.76 160.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD2' ' HD2' ' A' ' 61' ' ' ARG . 5.0 mp -62.43 -42.58 99.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -54.62 -12.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.418 ' C ' HG21 ' A' ' 17' ' ' THR . 93.4 m-70 65.93 54.49 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -117.62 170.14 9.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.83 165.58 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -73.37 91.16 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 8.0 p90 -129.02 171.02 12.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.88 -178.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.13 138.13 57.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.355 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 73.9 mtp -136.09 164.93 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.534 HD13 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -129.63 164.66 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.69 109.93 1.93 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.5 t -45.71 155.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.51 -35.04 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -51.36 124.48 23.92 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -19.0 36.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -82.46 -36.77 26.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.9 t -39.69 126.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 m -83.16 -43.63 15.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -70.97 -68.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 1.6 mt-10 62.89 35.43 13.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.495 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.6 m95 -164.29 121.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 16.4 m-85 -145.54 157.68 43.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -87.1 144.65 26.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.5 m-85 -56.84 -62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.17 -51.78 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.12 -55.14 30.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' GLY . 26.9 m -83.4 34.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.4 64.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.414 ' CD1' HG23 ' A' ' 47' ' ' VAL . 11.5 mt -120.44 87.86 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 t -56.31 -32.86 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.6 p -152.68 156.71 39.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.38 122.18 8.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 130.79 20.09 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.404 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 54' ' ' ARG . 21.3 ttp-105 -74.96 147.36 40.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.55 177.16 6.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -47.76 136.68 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.534 ' CH2' HD13 ' A' ' 30' ' ' ILE . 70.9 t90 -124.93 126.92 46.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.25 123.61 50.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.53 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 12.6 p -48.68 153.91 1.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.2 2.34 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HD2' ' CD2' ' A' ' 20' ' ' LEU . 9.0 mtp-105 -103.87 -21.11 13.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 88.0 m -98.27 -45.14 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 t -65.14 -13.38 57.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -94.96 49.71 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.02 -49.89 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 t -67.64 -46.16 73.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.51 -133.4 51.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 118.45 5.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -63.88 -62.33 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.6 m -89.34 -59.67 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.495 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -168.67 167.81 11.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -150.56 144.23 25.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.76 114.12 3.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -128.76 159.74 34.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.381 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.9 p -164.57 173.17 12.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . -170.57 -174.15 38.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.543 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' GLY . 25.5 t0 -35.07 145.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' ASP . 3.6 ptp -37.26 99.86 0.19 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.543 0.687 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 165.23 31.64 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.721 2.281 . . . . 0.0 112.304 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -75.86 175.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -170.78 151.8 3.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -28.94 24.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.399 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -44.34 -58.44 2.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 16.6 mt-10 -128.88 92.72 39.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.738 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 53.8 Cg_endo -69.75 160.92 47.92 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 22' ' ' HIS . 12.4 p -143.26 132.05 22.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -119.27 -67.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 6.5 t -45.82 160.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.486 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.2 mp -55.84 -47.63 76.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 p -51.05 -16.59 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 98.4 m-70 64.14 54.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -114.34 163.36 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m -80.71 156.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -44.37 101.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -143.65 153.96 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.67 -167.5 3.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 27.9 mt-10 -75.61 139.13 41.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 82.5 mtp -133.61 169.26 17.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.561 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -143.5 163.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.02 120.83 5.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.2 t -53.42 149.44 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.494 ' HB3' ' CE1' ' A' ' 58' ' ' PHE . 6.2 t70 -97.39 30.2 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -118.85 121.0 30.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.88 12.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.35 -21.38 15.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.97 127.17 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 t -78.89 -46.49 18.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.538 ' CD1' ' NH2' ' A' ' 61' ' ' ARG . 96.6 mt -72.4 -63.69 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 36.7 tt0 55.44 43.51 28.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 70.4 m95 -169.46 123.75 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 16.3 m-85 -145.03 178.52 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -107.97 141.18 40.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.7 m-85 -52.73 -64.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.32 -46.95 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.26 -52.07 66.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 49' ' ' LEU . 27.7 m -84.52 31.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.49 64.08 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' HG22 ' A' ' 47' ' ' VAL . 12.0 mt -120.29 93.01 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.2 t -55.78 -39.87 71.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.0 p -145.0 165.84 27.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -54.17 118.06 14.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 124.06 10.71 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -75.69 152.44 37.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.12 -152.3 38.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 58' ' ' PHE . 5.7 ptpp? -87.59 126.6 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 92.5 t90 -109.13 134.96 51.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.494 ' CE1' ' HB3' ' A' ' 33' ' ' ASP . 84.9 m-85 -122.3 124.09 42.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 14.0 p -48.43 153.85 1.25 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 5.18 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.538 ' NH2' ' CD1' ' A' ' 39' ' ' ILE . 38.2 mtm180 -104.37 -23.31 13.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.6 m -94.84 -46.81 6.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.9 t -60.09 -32.1 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -81.77 40.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 66' ' ' SER . 7.6 tp10 -98.96 154.77 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 3.4 m -41.28 -60.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.33 93.43 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 127.92 15.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -88.74 130.14 35.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -91.34 122.84 34.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.51 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 m -113.3 80.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.91 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 m -115.57 104.82 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.07 146.79 5.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -82.95 114.41 21.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -121.78 -45.52 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.31 70.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.39 103.56 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.9 ptp -41.35 152.18 0.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 101.96 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.391 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.7 m -56.31 178.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -172.7 157.35 3.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -22.12 32.75 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -56.62 -43.78 80.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' CB ' HG12 ' A' ' 24' ' ' VAL . 5.5 mm-40 -62.41 160.27 34.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.41 40.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.279 . . . . 0.0 112.361 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.1 p -116.74 157.53 25.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -131.3 -74.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 t -53.82 158.87 1.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mp -52.15 -34.72 46.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.6 m -49.92 -20.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 62.33 47.84 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -124.7 178.3 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.439 HG12 ' CB ' ' A' ' 15' ' ' GLU . 5.2 m -75.28 166.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -66.31 98.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 4.9 p90 -135.78 168.41 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.66 176.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 28.3 mt-10 -59.67 135.05 57.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 61.4 mtp -137.28 162.11 34.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.94 172.55 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -120.18 102.04 0.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.544 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' GLY . 43.9 t -37.59 135.87 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.521 ' OD2' ' CZ ' ' A' ' 58' ' ' PHE . 35.1 t0 -62.24 -41.7 98.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -55.53 118.47 19.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -21.77 33.21 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.53 -36.1 52.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -42.8 112.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.6 p -61.76 -48.47 80.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.4 mt -67.35 -62.6 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 35.9 tt0 49.38 41.69 21.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 82.5 m95 -167.81 124.23 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -143.64 176.66 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -100.83 134.55 43.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 28' ' ' GLU . 3.8 m-85 -47.37 -64.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.06 -47.71 8.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.2 m -59.69 -53.7 54.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.462 HG23 ' CG ' ' A' ' 49' ' ' LEU . 28.6 m -81.54 36.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 32.47 48.72 0.34 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.536 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 ' CG ' HG23 ' A' ' 47' ' ' VAL . 11.8 mt -111.73 88.99 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.5 m -56.5 -38.81 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 p -145.17 159.55 42.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -52.81 117.33 10.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.634 0.731 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.02 32.38 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -89.49 165.34 14.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.62 -143.41 13.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -89.34 170.76 10.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.567 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 65.8 t90 -148.86 127.53 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CZ ' ' OD2' ' A' ' 33' ' ' ASP . 58.4 m-85 -107.8 117.03 33.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.567 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 13.9 p -43.71 155.7 0.31 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.724 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.5 Cg_endo -69.76 3.8 2.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.636 2.224 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -103.9 -24.57 13.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.6 m -95.72 -43.53 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 64' ' ' GLN . 1.4 t -86.82 18.11 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HG2' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -33.33 -46.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 36.5 tt0 -61.72 117.63 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m 41.52 43.52 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -110.47 -165.11 19.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 86.51 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.8 p -102.97 170.05 8.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -114.69 -50.68 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.449 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 t -113.02 92.93 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.0 m -98.84 145.29 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 141.62 32.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -149.42 123.93 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 t -160.77 160.65 31.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.57 83.53 0.52 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -82.92 129.16 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 30.6 mtt -123.05 126.1 26.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.691 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 179.01 3.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 2.228 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.2 m -100.49 165.41 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.63 156.75 10.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.847 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -17.97 37.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -44.25 -58.87 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -102.37 144.53 28.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 154.88 67.3 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.379 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 22' ' ' HIS . 17.1 p -126.4 130.12 50.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.402 ' C ' HG21 ' A' ' 39' ' ' ILE . 9.2 m-85 -109.83 -69.91 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.1 t -44.65 165.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 5.0 mp -67.46 -40.23 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 p -52.68 -14.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 96.8 m-70 65.46 52.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.85 164.41 16.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 m -77.87 162.06 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -52.75 121.06 6.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -170.81 158.71 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.19 179.05 1.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.14 132.86 55.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.7 mtp -137.67 168.89 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.557 HG13 ' CZ3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -139.32 167.29 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.0 100.37 0.93 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.8 t -38.16 134.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' A' ' 57' ' ' TRP . 1.7 m-20 -59.92 -39.13 84.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -60.8 117.65 27.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.85 30.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.8 m-20 -75.15 -41.65 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.6 t -36.16 124.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -69.46 -51.25 37.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLU . 41.2 mt -69.5 -54.02 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 3.3 pt-20 36.36 37.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 68.5 m95 -165.58 112.67 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -136.5 174.72 10.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -102.37 141.31 35.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.3 m-85 -52.81 -64.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.18 -46.97 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.2 m -62.29 -51.97 65.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 49' ' ' LEU . 30.8 m -84.04 31.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.56 61.91 0.43 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 ' CD1' HG22 ' A' ' 47' ' ' VAL . 11.7 mt -115.55 90.79 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 t -54.68 -32.76 59.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -147.85 174.76 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -76.85 122.98 87.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.492 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.4 Cg_endo -69.74 146.66 60.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -105.05 163.19 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.23 -87.96 0.69 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -146.42 142.63 28.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.557 ' CZ3' HG13 ' A' ' 30' ' ' ILE . 87.8 t90 -135.11 116.44 14.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 33' ' ' ASP . 76.5 m-85 -104.42 117.54 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.421 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.6 p -42.44 153.95 0.29 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.667 0.746 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 4.49 2.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.244 . . . . 0.0 112.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.7 mtp-105 -104.72 -22.57 13.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.1 m -95.47 -48.42 5.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -65.4 -47.04 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -100.64 75.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' SER . 12.6 tp10 -124.01 108.04 11.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' GLU . 45.0 t -34.58 103.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 152.81 111.65 0.47 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 69' ' ' SER . 53.4 Cg_endo -69.78 5.44 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.303 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 68' ' ' PRO . 73.4 p -32.63 105.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 90.0 p -114.24 -177.61 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.506 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.2 p -129.73 160.12 34.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -105.31 -56.2 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.88 -164.64 21.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 p -142.45 146.37 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -59.42 140.51 56.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.92 -43.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.88 142.68 17.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.786 0.327 . . . . 0.0 110.832 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.2 mtp -103.56 136.0 19.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.703 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -174.08 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.727 2.284 . . . . 0.0 112.345 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.3 m -63.54 165.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.97 161.13 14.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.49 10.78 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.695 2.264 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -45.35 -50.57 12.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -102.33 96.73 7.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.38 47.7 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.424 HG21 ' C ' ' A' ' 22' ' ' HIS . 19.5 p -81.28 139.62 35.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -117.17 -73.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 7.6 t -41.71 162.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 4.9 mp -59.35 -46.55 88.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 16.1 p -52.12 -13.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 80.5 m-70 65.21 55.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -117.67 173.2 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 m -93.75 160.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -47.24 110.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -150.31 156.33 41.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.813 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.36 -145.42 27.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -94.02 132.59 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.5 mtp -136.98 155.42 49.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.538 HD13 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -125.44 166.51 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.54 106.6 1.6 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.53 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 t -43.08 147.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -82.8 -37.47 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -50.54 122.37 15.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -22.34 32.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -77.9 -38.19 46.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.0 t -39.46 133.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -90.09 -42.41 11.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.83 -63.89 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 2.4 mt-10 57.28 34.63 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 91.9 m95 -165.75 119.4 1.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 22.2 m-85 -145.67 141.86 28.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -74.0 138.48 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.533 ' CD2' ' HB3' ' A' ' 49' ' ' LEU . 4.5 m-85 -49.99 -66.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.88 -45.71 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.43 -51.16 71.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.63 26.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.77 68.14 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.533 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 10.4 mt -112.74 91.72 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.9 m -59.63 -36.92 77.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -141.87 160.27 40.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.56 125.58 89.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 102.68 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.84 79.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.13 -165.83 26.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -59.17 136.36 57.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.313 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.561 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 86.4 t90 -141.03 115.0 9.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -98.17 110.03 22.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.0 p -40.17 154.6 0.19 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 9.05 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.472 ' HD2' ' CD2' ' A' ' 20' ' ' LEU . 46.8 mtp180 -110.02 -24.89 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.9 m -92.47 -44.18 8.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.6 t -71.51 -40.85 69.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -81.12 42.45 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -123.48 137.05 54.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 m 58.02 41.9 23.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.93 -141.77 3.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 109.27 2.28 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -154.61 169.96 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -97.07 -61.51 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.48 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -50.56 160.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -152.9 110.04 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.36 120.49 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 p -170.34 124.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -145.09 165.4 28.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.91 -117.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -88.94 105.28 17.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.4 tpp -68.07 131.96 92.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 156.1 64.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.8 m -87.75 175.67 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.95 148.48 15.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.575 0.702 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -37.17 9.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -58.01 -47.25 83.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -120.01 95.8 49.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.652 0.739 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 147.06 62.03 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.412 HG21 ' C ' ' A' ' 22' ' ' HIS . 20.0 p -123.98 141.06 52.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.442 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 11.2 m-85 -118.95 -68.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 7.6 t -43.44 162.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 4.7 mp -59.7 -47.28 86.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' CG ' ' A' ' 23' ' ' GLN . 14.5 p -52.6 -13.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.412 ' C ' HG21 ' A' ' 17' ' ' THR . 38.4 m-70 64.2 55.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.412 ' CG ' ' SG ' ' A' ' 21' ' ' CYS . 4.4 mm100 -111.54 170.38 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.63 161.86 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -56.06 102.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.9 p90 -145.82 166.23 26.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.92 -179.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.457 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.09 140.73 58.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 59.6 mtp -136.77 156.52 48.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.572 HD13 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -125.13 167.16 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.22 105.67 1.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.536 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.9 t -45.93 158.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -98.29 -35.29 10.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 36' ' ' ASP . 33.3 t30 -47.22 124.04 8.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -18.56 36.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 1.5 m-20 -82.6 -38.18 23.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.426 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 2.0 t -39.16 134.29 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.7 m -93.2 -41.01 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 43.2 mt -70.65 -65.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.562 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 7.0 mm-40 67.5 28.42 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 96.5 m95 -165.17 131.45 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 17.6 m-85 -145.88 -179.42 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 30.8 m80 -110.41 123.87 50.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.0 m-85 -37.1 -70.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.37 -57.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.1 m -49.36 -52.47 28.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.4 m -83.54 25.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.61 59.8 2.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.1 mt -113.94 82.8 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t -47.82 -40.65 21.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.9 p -141.14 167.98 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -59.98 128.6 87.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 116.03 4.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -67.92 146.02 54.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.47 -115.44 5.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -108.43 164.7 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.572 ' CH2' HD13 ' A' ' 30' ' ' ILE . 70.4 t90 -152.32 132.55 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.7 118.99 33.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.5 p -45.44 155.23 0.46 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.98 2.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.378 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 9.6 mtm105 -104.64 -21.51 13.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.9 m -100.04 -38.31 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 64' ' ' GLN . 1.1 t -85.96 23.49 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 63' ' ' SER . 18.6 pt20 -33.21 -42.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -87.08 82.68 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -169.71 124.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.29 157.93 18.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -33.96 15.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.265 . . . . 0.0 112.384 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 m -60.07 120.37 9.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.9 t -94.97 -58.09 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.522 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 m 52.86 41.83 31.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 m -106.46 176.31 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.29 146.68 18.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.534 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 6' ' ' SER . 80.5 p -75.01 82.53 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.829 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 5' ' ' SER . 67.4 m 34.36 43.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.65 66.04 2.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -100.46 61.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.5 mtt -150.07 161.69 30.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 11' ' ' VAL . 53.7 Cg_endo -69.72 172.48 12.52 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 10' ' ' PRO . 32.1 m -33.96 146.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -173.33 151.61 2.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 2.84 3.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.262 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -79.28 -62.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -71.21 138.33 84.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 141.35 45.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.43 HG21 ' C ' ' A' ' 22' ' ' HIS . 7.9 p -108.88 127.34 53.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -108.65 -70.6 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 13.7 t -40.25 160.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 3.8 mp -60.63 -44.3 96.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 p -53.23 -13.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.43 ' C ' HG21 ' A' ' 17' ' ' THR . 94.0 m-70 63.58 54.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -111.85 173.18 6.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.43 157.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -48.44 109.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -159.82 161.79 34.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.48 -176.59 0.63 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.28 134.65 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 84.8 mtp -139.0 164.56 29.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.563 HD11 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -136.98 167.39 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -116.06 101.02 0.97 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' GLY . 17.9 t -34.79 136.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.567 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -64.12 -39.83 94.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -55.47 120.56 32.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.86 29.23 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' CYS . 5.0 t70 -75.01 -39.68 61.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ASP . 5.5 t -37.36 114.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.2 m -66.12 -44.94 82.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 58.6 mt -71.65 -61.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.588 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 55.5 tt0 46.72 44.67 14.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 73.4 m95 -169.52 117.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -143.46 157.97 44.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -88.54 134.39 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.8 m-85 -45.82 -69.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.59 -49.44 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.1 m -53.7 -50.59 65.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 48' ' ' GLY . 34.0 m -93.04 34.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.13 70.98 0.14 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.449 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 9.6 mt -116.62 94.41 4.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.4 m -58.91 -36.69 75.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 p -150.8 168.91 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -65.81 117.0 37.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.486 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.6 Cg_endo -69.76 96.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.737 2.292 . . . . 0.0 112.314 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -58.29 158.33 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.65 -96.34 1.76 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -137.63 160.1 40.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.563 ' CH2' HD11 ' A' ' 30' ' ' ILE . 86.1 t90 -155.69 115.01 3.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 33' ' ' ASP . 78.5 m-85 -106.55 121.79 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.1 p -47.76 154.53 0.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 6.52 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -107.99 -20.25 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.0 m -101.79 -35.54 9.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -83.17 20.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -111.94 76.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -123.23 122.18 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.9 m -80.66 150.14 29.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 69' ' ' SER . . . -129.95 169.52 20.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 69' ' ' SER . 54.1 Cg_endo -69.77 13.18 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.252 . . . . 0.0 112.369 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.508 ' C ' ' O ' ' A' ' 68' ' ' PRO . 22.8 t -28.91 127.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.1 m -70.59 113.98 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.079 -0.845 . . . . 0.0 112.53 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -81.75 157.02 24.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -77.75 103.33 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.46 121.06 5.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 m -114.46 150.0 35.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -91.93 132.64 36.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.799 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.62 106.16 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.97 112.89 17.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -71.18 131.6 86.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -175.51 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.0 m -51.04 163.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.72 143.54 3.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.609 0.719 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -20.33 34.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.621 2.214 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -40.89 -52.27 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -95.49 143.77 26.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 170.53 16.31 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.419 HG21 ' C ' ' A' ' 22' ' ' HIS . 21.4 p -131.1 121.61 25.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -102.04 -68.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 21.3 t -40.8 159.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.9 mp -62.02 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 23' ' ' GLN . 15.0 p -52.62 -14.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 96.0 m-70 66.74 54.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.402 ' CG ' ' SG ' ' A' ' 21' ' ' CYS . 9.4 mm-40 -114.22 166.4 11.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 m -80.53 160.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -53.79 102.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -147.48 164.0 34.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 178.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.95 128.11 34.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.4 mtp -132.3 160.89 34.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.504 ' CG1' ' CZ3' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -126.66 169.1 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.59 99.3 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.1 t -39.87 132.1 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.32 -38.73 88.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.531 ' ND2' ' OD2' ' A' ' 36' ' ' ASP . 10.8 t30 -50.36 119.73 11.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 -32.01 19.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.531 ' OD2' ' ND2' ' A' ' 34' ' ' ASN . 3.7 p-10 -68.38 -41.27 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.7 t -34.75 137.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 m -88.37 -45.5 9.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -67.98 -65.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.566 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 4.3 mt-10 60.97 30.88 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 91.0 m95 -166.64 128.23 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 39.6 m-85 -145.76 178.43 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -109.09 128.04 54.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.452 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.2 m-85 -42.08 -39.44 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.39 -56.39 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.22 -47.82 54.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.72 -41.94 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.66 34.11 3.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.517 HD13 ' CE2' ' A' ' 57' ' ' TRP . 26.1 mt -91.48 104.15 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.434 HG21 ' N ' ' A' ' 51' ' ' THR . 7.9 t -59.23 -37.14 76.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.434 ' N ' HG21 ' A' ' 50' ' ' THR . 22.1 m -147.02 148.67 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -43.65 117.17 2.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.481 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 54.0 Cg_endo -69.78 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -59.89 162.55 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.5 -122.08 10.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -108.64 143.25 37.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.517 ' CE2' HD13 ' A' ' 49' ' ' LEU . 89.7 t90 -140.66 133.65 29.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -120.88 125.4 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.497 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.1 p -50.55 154.93 2.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.3 Cg_endo -69.73 10.26 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.385 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 59' ' ' CYS . 12.5 mtp-105 -109.96 -27.8 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 78.3 m -91.78 -45.52 8.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t -53.38 -47.41 69.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -108.12 75.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -62.24 158.58 16.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -41.23 -42.73 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.63 174.99 43.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 163.96 36.3 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 p -111.33 150.49 29.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -73.79 -60.08 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.455 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -157.53 105.35 2.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -123.68 122.79 39.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.3 108.52 0.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 t -130.39 138.59 50.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -141.4 123.77 15.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.9 118.84 5.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.88 159.34 16.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.4 ttt -152.92 131.19 6.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.644 0.735 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.67 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.6 m -55.41 162.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.18 159.86 12.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.837 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 2.86 3.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.24 . . . . 0.0 112.307 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.7 -53.45 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -130.18 158.47 74.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.729 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.15 52.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.406 HG22 ' C ' ' A' ' 22' ' ' HIS . 24.3 p -106.3 133.98 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' CYS . 68.5 m-85 -116.91 -68.57 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 13.4 t -39.73 161.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.436 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 5.2 mp -59.3 -43.75 92.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.8 p -56.66 -11.75 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.406 ' C ' HG22 ' A' ' 17' ' ' THR . 43.7 m-70 63.45 54.39 1.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -111.61 165.35 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.2 m -81.24 160.26 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 t -52.3 101.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.3 p90 -147.44 167.67 23.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.48 -173.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -68.44 133.99 49.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.7 mtp -138.12 167.61 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.568 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -138.26 168.75 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.087 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.36 100.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.516 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.5 t -40.35 136.18 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.23 -41.55 99.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -52.64 118.82 13.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -26.6 27.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.5 m-20 -74.6 -41.33 60.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.7 t -37.12 119.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.4 p -69.95 -46.25 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' GLU . 29.6 mt -72.37 -54.02 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 4.0 pt-20 35.62 37.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 72.9 m95 -164.76 115.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -136.3 177.92 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -106.66 134.52 49.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 6.7 m-85 -48.09 -42.63 29.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.12 -46.34 77.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.2 -50.05 75.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 48' ' ' GLY . 28.8 m -74.01 -30.06 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' HG22 ' A' ' 47' ' ' VAL . . . 92.51 33.41 7.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.4 119.65 25.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.8 m -72.69 -43.48 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.5 p -142.43 152.4 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -46.34 121.28 6.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.515 0.674 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 146.58 60.83 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.651 2.234 . . . . 0.0 112.369 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -102.24 173.57 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.41 -109.33 1.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.59 130.24 50.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.568 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.4 t90 -117.27 117.03 28.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -102.63 122.14 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.542 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 16.5 p -49.0 154.06 1.38 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.02 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.6 mtp-105 -105.85 -28.35 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.4 m -89.22 -44.74 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -59.57 -42.0 91.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -91.66 39.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' SER . 5.7 pt-20 -81.46 42.13 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 69' ' ' SER . 69.3 m -34.5 151.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.6 -116.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.55 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.734 2.289 . . . . 0.0 112.376 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' A' ' 66' ' ' SER . 23.0 t -66.74 97.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.3 t -55.6 148.28 16.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.472 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -149.41 143.31 25.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.82 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -134.96 110.53 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.76 138.44 4.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -88.84 97.01 10.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.878 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -117.47 105.13 11.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.27 -114.45 3.22 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -99.54 120.87 40.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.487 ' C ' ' H ' ' A' ' 11' ' ' VAL . 19.7 mtt -111.96 150.56 42.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.529 0.68 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.504 ' O ' ' C ' ' A' ' 11' ' ' VAL . 53.9 Cg_endo -69.78 16.13 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' A' ' 10' ' ' PRO . 27.5 m -28.69 135.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -139.43 162.14 53.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.5 36.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.252 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.94 -55.76 24.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HB2' ' CG1' ' A' ' 24' ' ' VAL . 47.6 mm-40 -49.93 156.18 1.36 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 134.42 27.86 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.7 p -94.86 147.86 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -128.18 -68.1 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 36.6 t -41.34 162.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.471 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 5.1 mp -62.27 -36.68 82.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -63.86 -4.84 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 64.04 54.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -121.16 165.19 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.421 ' CG1' ' HB2' ' A' ' 15' ' ' GLU . 4.3 m -93.19 174.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 p -51.3 124.12 11.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -170.25 138.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.58 -151.64 52.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.422 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -86.08 131.55 34.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.3 mtp -136.94 164.8 27.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.567 HD12 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -138.21 169.68 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.75 108.59 1.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 14.5 t -43.27 136.83 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.79 -36.3 75.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -52.49 123.46 29.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.589 0.709 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -21.34 33.69 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' CYS . 36.0 t0 -79.86 -36.86 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.0 t -37.65 110.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.9 m -66.83 -43.47 83.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.01 -65.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.535 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 35.2 tt0 58.23 45.17 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.535 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 76.5 m95 -167.93 123.39 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 14.2 m-85 -145.51 167.89 21.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -99.61 132.91 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.459 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.6 m-85 -45.56 -58.03 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.5 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.3 m -72.82 -37.74 67.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' GLY . 30.7 m -100.1 29.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.35 68.43 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.8 mt -120.93 96.28 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.3 p -57.07 -36.03 70.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 t -147.92 172.14 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -67.74 118.15 54.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.702 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 135.74 31.2 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.724 2.282 . . . . 0.0 112.279 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 1.6 tmm_? -88.0 149.71 23.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 54' ' ' ARG . . . 84.49 -117.57 4.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -116.73 165.69 12.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.567 ' CH2' HD12 ' A' ' 30' ' ' ILE . 77.7 t90 -147.75 121.07 8.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -104.24 104.79 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -38.73 154.29 0.15 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.722 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 4.11 2.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.471 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 16.7 mtm105 -105.15 -20.11 13.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.7 m -94.94 -54.3 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t -51.87 -51.07 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -57.29 -49.49 75.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.93 103.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.6 p -57.46 153.22 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.11 97.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 122.38 9.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.5 t -80.31 113.73 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 p -114.09 168.07 10.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.491 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -143.5 122.3 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.8 p -91.87 171.0 9.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.87 141.01 7.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 p -165.21 165.9 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.396 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -108.57 126.37 52.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.39 145.06 9.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 8.7 p-10 -72.27 95.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.331 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.46 161.23 53.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.564 0.697 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 156.48 63.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -43.37 167.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.13 155.89 28.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.628 0.728 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 1.54 4.38 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.401 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -60.21 -46.02 91.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 14' ' ' ASN . 41.3 mm-40 -137.06 143.17 41.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 140.38 42.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.434 HG22 ' C ' ' A' ' 22' ' ' HIS . 22.5 p -100.45 131.55 46.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.402 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 45.4 m-85 -113.44 -67.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 12.1 t -41.94 162.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 4.6 mp -60.65 -44.98 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 20.6 p -54.46 -11.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.434 ' C ' HG22 ' A' ' 17' ' ' THR . 69.7 m-70 63.8 54.22 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -112.76 166.32 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.9 162.5 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t -56.03 101.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.1 p90 -152.56 161.37 42.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.5 -178.04 1.69 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.96 129.51 40.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.6 mtp -134.82 166.6 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.56 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -138.04 162.76 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -114.43 98.3 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' GLY . 12.2 t -36.15 146.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.75 -36.51 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.64 120.7 55.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -30.27 22.29 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' CYS . 83.6 m-20 -69.88 -40.02 75.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' ASP . 8.2 t -32.84 120.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -62.26 -51.77 66.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 54.9 mt -73.42 -69.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.604 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 10.6 tm-20 66.08 28.3 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 57.0 m95 -165.46 118.67 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.04 176.05 9.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -101.72 148.54 25.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.9 m-85 -58.74 -66.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.64 -42.51 7.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.9 m -65.09 -45.86 83.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLY . 22.1 m -92.71 34.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.85 65.39 0.39 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' CD1' HG22 ' A' ' 47' ' ' VAL . 11.3 mt -122.58 88.84 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 p -51.26 -39.94 57.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.4 t -144.88 168.8 19.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -66.67 117.02 40.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 104.35 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -64.17 102.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . 124.32 168.27 12.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' GLY . 29.3 mttm -36.51 140.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.56 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.3 t90 -139.32 125.62 20.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -116.35 119.64 36.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.517 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.5 p -46.17 155.19 0.55 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.447 ' O ' ' CG ' ' A' ' 64' ' ' GLN . 54.2 Cg_endo -69.8 12.03 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 61' ' ' ARG . 14.0 mtp-105 -112.3 -28.59 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.5 m -90.69 -48.41 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 t -56.53 -60.54 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.472 ' CD ' ' O ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -79.34 54.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -121.43 -45.12 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t -125.28 160.71 28.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.11 -149.97 26.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 92.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -61.71 146.97 47.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.4 m -72.5 160.67 31.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m -102.76 175.82 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -85.55 -57.89 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.23 -118.8 0.51 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -129.66 99.63 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -151.31 139.72 20.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.5 -101.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.437 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -128.61 81.34 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.482 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -74.2 -62.0 1.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 9' ' ' MET . 54.1 Cg_endo -69.78 120.73 7.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' CG ' ' A' ' 12' ' ' ASP . 34.5 m -90.17 171.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 11' ' ' VAL . 4.7 m-20 -174.5 158.06 2.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -19.91 35.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -41.48 -52.87 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -115.37 127.7 26.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.05 49.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.416 HG21 ' C ' ' A' ' 22' ' ' HIS . 21.3 p -103.55 132.67 49.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 5.4 m-85 -113.49 -67.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.9 t -44.8 164.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 5.1 mp -65.48 -38.92 91.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.4 p -55.58 -12.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.416 ' C ' HG21 ' A' ' 17' ' ' THR . 78.1 m-70 63.28 47.01 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -114.0 168.82 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 m -75.42 164.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 t -57.2 125.07 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.7 p90 -169.06 162.8 11.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.09 175.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -62.32 137.74 58.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.8 mtp -134.16 167.08 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.559 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -134.72 165.58 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.21 105.17 1.72 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.8 t -43.57 133.69 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -35.93 82.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -56.65 117.73 18.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -25.38 28.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' CYS . 66.0 m-20 -75.08 -39.13 60.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ASP . 7.2 t -36.52 151.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 m -104.2 -42.91 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.3 mt -70.59 -51.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 1.4 mt-10 40.63 37.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 84.7 m95 -166.85 122.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 29.0 m-85 -145.92 179.97 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 23.9 m80 -108.87 132.24 54.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.8 m-85 -43.47 -68.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.66 -52.59 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.4 m -54.61 -53.42 54.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 48' ' ' GLY . 34.6 m -83.18 31.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.64 60.48 0.51 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 mt -115.13 83.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.883 0.373 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 m -46.07 -40.85 11.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.5 p -145.23 162.86 36.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -51.17 121.25 15.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.52 51.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -91.83 179.45 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.78 -125.75 9.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 17.3 pttm -106.51 138.31 42.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.56 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 85.2 t90 -124.52 119.65 29.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CE2' ' HD2' ' A' ' 56' ' ' LYS . 90.4 m-85 -105.34 119.84 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.56 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 12.2 p -47.97 154.48 0.99 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.25 6.66 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.282 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.46 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 14.4 mmm180 -98.01 -22.86 16.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.8 m -95.36 -55.26 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -45.43 -35.5 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -81.28 41.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -99.83 -40.02 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.1 t -99.04 145.37 27.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.817 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -50.72 162.8 1.03 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.36 17.43 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.6 m -96.67 165.74 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.3 p -113.67 126.44 55.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.487 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.3 p -129.89 126.64 38.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.909 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p -152.32 120.58 6.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.78 144.51 44.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -106.21 82.83 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 110.815 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -64.42 155.28 33.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.43 -160.42 23.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.42 102.05 6.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.21 140.27 28.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.535 0.684 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -174.84 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.734 2.289 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.7 m -52.06 170.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' OD1' ' OE1' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -165.78 159.55 13.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 110.866 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.96 35.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -66.86 -39.26 87.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' OE1' ' OD1' ' A' ' 12' ' ' ASP . 5.7 mt-10 -45.06 134.67 5.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 127.07 14.06 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.42 HG21 ' C ' ' A' ' 22' ' ' HIS . 6.5 p -117.52 133.86 55.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -115.74 -70.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 12.8 t -40.78 161.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 5.6 mp -60.4 -45.2 94.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 p -54.36 -13.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' C ' HG21 ' A' ' 17' ' ' THR . 94.1 m-70 65.96 55.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -115.21 175.48 5.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -88.2 165.55 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -57.99 100.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.4 p90 -145.33 166.12 26.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.41 -176.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 68.1 mm-40 -64.72 131.86 48.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.5 mtp -132.87 169.5 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.527 HD12 ' CH2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -141.15 161.63 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -112.81 99.5 1.03 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' GLY . 19.4 t -36.02 146.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.606 ' OD1' ' CD1' ' A' ' 58' ' ' PHE . 1.1 p30 -73.44 -45.65 53.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -49.91 123.1 14.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -29.74 23.27 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' CYS . 26.6 t0 -70.89 -41.9 70.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.9 t -34.99 111.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 t -66.26 -42.55 88.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.6 mt -70.21 -65.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.569 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 30.9 tt0 48.12 40.93 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 71.6 m95 -169.37 119.3 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -142.16 176.91 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -107.95 130.73 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.475 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.4 m-85 -42.64 -65.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.08 -39.16 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 m -68.6 -38.74 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.8 m -99.08 27.87 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 37.81 65.59 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -119.83 98.9 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.5 p -59.19 -40.14 84.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 m -145.2 156.8 44.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -54.19 121.78 32.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.0 43.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -99.69 110.39 22.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.45 -167.25 12.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.461 ' HD2' ' CZ ' ' A' ' 58' ' ' PHE . 23.0 pttp -67.42 125.63 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.719 0.295 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.527 ' CH2' HD12 ' A' ' 30' ' ' ILE . 86.4 t90 -120.27 109.61 15.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CD1' ' OD1' ' A' ' 33' ' ' ASP . 76.1 m-85 -94.14 103.85 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.481 ' C ' ' H ' ' A' ' 61' ' ' ARG . 12.7 p -36.72 153.98 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.651 0.739 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 13.87 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 59' ' ' CYS . 13.8 mtp-105 -117.15 -22.49 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.7 m -96.16 -34.24 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.485 ' O ' ' C ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -83.65 33.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.813 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 63' ' ' SER . 15.4 mp0 -30.63 -60.19 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -48.18 112.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -128.57 84.88 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -109.63 -176.5 21.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.81 7.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.5 m -38.76 130.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.81 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.9 m 60.88 41.78 13.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.513 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -53.96 141.7 27.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.36 . . . . 0.0 110.821 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 m -143.64 109.9 5.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.54 -171.81 8.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -85.9 116.65 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -115.81 99.64 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.48 -174.87 22.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -128.73 103.12 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 mtt -127.09 118.02 21.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -165.99 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.7 2.267 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.98 157.43 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.25 146.34 19.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.739 . . . . 0.0 110.847 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 15' ' ' GLU . 54.0 Cg_endo -69.72 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' PRO . 28.1 m-20 35.23 31.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' PRO . 4.7 mm-40 -148.13 144.23 18.59 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.621 0.724 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 149.74 67.23 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -116.4 139.01 50.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 73.9 m-85 -122.71 -57.73 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' CB ' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t -55.12 160.12 2.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.54 -36.53 82.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -60.97 -8.49 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 63.79 55.0 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -121.82 168.85 11.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.451 HG12 ' CB ' ' A' ' 15' ' ' GLU . 4.4 m -74.9 169.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 m -73.03 95.32 2.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -127.77 172.05 11.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.57 -171.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -69.67 135.04 49.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.426 ' HE3' ' CD2' ' A' ' 43' ' ' HIS . 59.4 mtp -138.4 155.66 48.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.556 HD11 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -120.97 168.49 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.44 109.83 1.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.8 t -45.59 156.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -97.38 -29.79 13.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -53.92 124.19 42.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -21.41 33.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.16 -32.23 33.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.2 t -40.5 138.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 p -96.66 -40.39 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 39.3 mt -78.78 -62.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 2.7 mt-10 60.61 37.78 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 84.6 m95 -167.27 121.1 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -145.43 165.24 29.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.426 ' CD2' ' HE3' ' A' ' 29' ' ' MET . 25.8 m80 -93.81 138.91 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.811 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.1 m-85 -50.21 -52.73 33.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.11 -57.46 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.66 -41.83 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 48' ' ' GLY . 30.8 m -97.27 27.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.42 70.63 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.98 99.47 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 t -62.88 -24.28 67.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.2 t -157.27 168.65 26.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -63.95 124.69 85.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 101.07 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -65.72 149.77 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.96 -116.7 4.52 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -110.93 153.93 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.556 ' CH2' HD11 ' A' ' 30' ' ' ILE . 88.7 t90 -146.53 120.22 9.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -104.63 106.52 17.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.546 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.7 p -38.48 154.49 0.14 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 3.47 2.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -104.4 -21.16 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.2 m -95.04 -46.33 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.5 t -62.16 -37.84 86.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.55 -51.61 62.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -86.01 96.78 9.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -151.72 177.37 10.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.15 134.38 14.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HG2' ' C ' ' A' ' 71' ' ' GLY . 53.7 Cg_endo -69.7 -176.62 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.5 m -65.61 -41.04 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.4 p -113.91 40.96 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.428 ' C ' ' HG2' ' A' ' 68' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -146.21 126.64 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.389 . . . . 0.0 110.88 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -115.29 173.86 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.78 97.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -170.8 132.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -160.34 157.97 28.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.3 -126.78 5.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -147.22 169.18 19.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.2 ptm -40.57 144.96 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.597 0.713 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.29 20.96 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.325 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.6 m -60.08 105.32 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -40.43 146.81 0.41 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -5.72 16.86 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -70.0 -51.07 35.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -97.27 120.95 60.05 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.652 0.739 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 145.74 57.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.26 . . . . 0.0 112.344 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.42 HG21 ' C ' ' A' ' 22' ' ' HIS . 7.6 p -84.25 131.9 34.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -108.42 -71.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 41.0 t -44.59 162.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 3.8 mp -64.7 -35.87 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 30.6 p -62.27 -5.44 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' C ' HG21 ' A' ' 17' ' ' THR . 82.3 m-70 64.12 55.05 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -127.23 164.74 21.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -94.97 168.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 t -63.54 108.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -126.0 -19.49 4.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -140.8 -155.96 6.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -65.1 131.79 47.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.357 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.7 mtp -137.59 166.5 23.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.574 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.06 163.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.98 101.03 1.02 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 29.7 t -38.5 127.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.81 -37.59 71.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -56.33 119.34 27.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.26 32.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -77.53 -35.85 52.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -40.21 114.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -66.28 -46.46 76.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.8 mt -72.32 -63.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.551 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 30.5 tt0 52.4 44.18 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 78.3 m95 -168.02 122.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 10.9 m-85 -145.53 166.4 25.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -96.0 128.24 42.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.3 m-85 -38.54 -64.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.44 -58.1 4.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.6 m -45.48 -54.58 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 49' ' ' LEU . 27.3 m -83.91 29.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.26 58.03 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 51' ' ' THR . 11.1 mt -113.51 -45.67 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.961 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.5 p 38.27 27.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' LEU . 8.1 m -165.96 162.23 17.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' N ' HG21 ' A' ' 51' ' ' THR . 33.2 tttt -97.67 104.78 22.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 86.88 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.5 136.45 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.53 -88.06 0.49 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -155.28 134.83 12.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.337 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.574 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.8 t90 -129.6 147.66 51.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -132.54 125.33 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.568 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 13.9 p -50.94 154.57 2.43 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 6.7 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.272 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' H ' ' C ' ' A' ' 59' ' ' CYS . 72.1 mtp85 -106.6 -24.63 12.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -95.49 -49.77 5.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.1 t -54.66 -57.45 11.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 65.13 41.6 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -105.98 160.19 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.9 t -58.39 124.95 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.5 -116.0 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 91.73 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 t -55.0 133.14 48.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m 44.09 48.36 7.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.485 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -45.93 -48.8 16.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t 60.6 42.15 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.96 -163.63 21.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 t -117.61 160.83 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.804 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -122.61 134.58 54.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.44 121.5 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.45 118.25 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.5 tpt -51.35 113.78 4.3 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.535 0.683 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 177.92 5.06 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.406 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.53 171.91 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -171.08 151.72 3.27 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -40.06 5.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -42.67 -55.28 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -115.97 107.68 47.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 141.67 45.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.416 HG23 ' C ' ' A' ' 22' ' ' HIS . 17.2 p -108.23 130.95 55.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.464 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 4.8 m-85 -111.45 -70.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.2 t -40.94 162.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.418 ' CD2' ' HD2' ' A' ' 61' ' ' ARG . 5.0 mp -64.57 -36.31 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -57.73 -11.86 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.416 ' C ' HG23 ' A' ' 17' ' ' THR . 89.8 m-70 62.68 46.15 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -108.87 -176.04 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 m -92.94 165.57 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 t -62.06 116.83 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 3.2 p90 -163.06 167.86 21.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.71 -179.37 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -63.35 133.71 54.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 82.6 mtp -138.35 166.57 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.514 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -136.42 172.16 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -124.08 104.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.2 t -39.0 153.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -107.13 32.09 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -118.34 128.57 25.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -19.06 36.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -84.65 -25.14 28.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 t -55.37 128.32 33.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -84.43 -44.83 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 22.8 mt -78.29 -60.26 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.589 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 33.4 tt0 58.82 41.79 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 68.9 m95 -168.91 124.5 0.91 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -144.85 179.89 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -106.38 145.71 31.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.02 -42.5 76.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.14 52.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -53.57 -50.05 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.2 m -74.73 -35.25 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.17 33.58 5.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD13 ' NE1' ' A' ' 57' ' ' TRP . 19.4 mt -94.45 104.26 16.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.9 p -58.82 -45.47 89.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -137.39 140.65 41.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -39.07 124.33 1.27 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.9 Cg_endo -69.7 156.5 63.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.254 . . . . 0.0 112.369 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 55' ' ' GLY . 26.6 ttp180 -115.59 159.29 21.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' A' ' 54' ' ' ARG . . . 73.9 -95.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -135.24 136.91 42.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 88.3 t90 -132.04 115.71 16.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -104.38 116.92 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.536 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.5 p -43.98 154.54 0.37 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HD2' ' CD2' ' A' ' 20' ' ' LEU . 29.1 mtp180 -103.95 -22.7 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.475 ' O ' ' NE2' ' A' ' 64' ' ' GLN . 68.0 m -98.69 -44.54 6.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 64' ' ' GLN . 1.3 t -82.85 18.19 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' A' ' 63' ' ' SER . 2.0 mp0 31.03 51.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -92.47 26.85 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.6 m -141.03 109.23 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 68' ' ' PRO . . . -153.77 99.66 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 67' ' ' GLY . 53.8 Cg_endo -69.69 -170.64 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.7 p -125.16 136.99 54.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 m -82.59 92.13 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.491 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -80.4 139.28 36.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.815 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -118.25 151.89 36.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.14 131.8 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.3 p -92.21 114.66 27.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 p -82.45 -43.02 17.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.27 -146.94 7.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -97.63 127.36 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 ptp -43.89 123.87 4.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 151.4 68.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.7 m -129.94 173.77 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -171.0 153.75 3.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -19.57 36.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -85.93 -57.01 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -45.87 104.48 0.4 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 116.3 4.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.423 HG21 ' C ' ' A' ' 22' ' ' HIS . 16.3 p -107.81 140.97 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.64 -62.25 1.32 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 9.8 t -52.15 157.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 mp -54.85 -45.07 74.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 p -53.55 -14.16 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.423 ' C ' HG21 ' A' ' 17' ' ' THR . 39.5 m-70 63.03 54.92 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -116.45 163.45 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 m -79.48 162.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -52.58 116.14 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -161.0 156.36 24.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.94 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.21 -161.76 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.24 138.03 36.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mtp -137.41 166.88 22.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.571 HD12 ' CH2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -138.5 168.53 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -116.06 94.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' GLY . 14.1 t -34.75 141.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -76.18 -40.58 52.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -48.46 119.96 8.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -14.52 36.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -85.05 -34.49 22.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -46.75 108.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -64.23 -43.84 93.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.401 HD11 ' NH1' ' A' ' 61' ' ' ARG . 58.8 mt -70.33 -61.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.574 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 33.4 tt0 53.35 41.73 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.574 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 75.3 m95 -168.72 120.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -142.28 172.84 12.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -101.19 138.29 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.0 m-85 -50.5 -65.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.33 -49.32 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.64 -49.72 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' A' ' 48' ' ' GLY . 21.6 m -93.64 32.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 32.68 69.84 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' ' 47' ' ' VAL . 14.3 mt -116.28 90.15 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -57.0 -35.15 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 m -150.17 144.93 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.35 120.09 11.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.558 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.5 Cg_endo -69.73 125.5 12.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 11.3 mtm105 -77.27 148.2 35.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.34 -126.04 7.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -101.04 151.05 22.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.326 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.571 ' CH2' HD12 ' A' ' 30' ' ' ILE . 78.1 t90 -146.93 116.3 7.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.28 106.54 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.541 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 21.3 p -38.6 154.8 0.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.78 5.68 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' NH1' HD11 ' A' ' 39' ' ' ILE . 1.9 ttt-85 -104.14 -31.05 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.6 m -83.22 -54.29 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 t -51.97 -39.29 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -92.51 41.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -107.78 127.6 53.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.6 t -46.66 -47.54 20.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.07 -164.18 37.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -174.57 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.228 . . . . 0.0 112.306 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -68.03 93.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.1 t -69.0 -56.66 7.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.913 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.516 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -131.53 116.14 17.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -141.47 124.18 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.22 -120.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -71.36 155.39 40.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.907 0.384 . . . . 0.0 110.82 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -90.41 85.55 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.15 152.02 8.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.8 134.93 34.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.324 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.5 ptm -108.75 131.62 21.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 179.87 3.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.665 2.244 . . . . 0.0 112.393 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m -91.65 173.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -172.63 158.43 3.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.72 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -47.91 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.622 2.215 . . . . 0.0 112.359 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.477 ' ND2' ' H ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -40.67 -58.53 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 2.0 mp0 -126.98 94.89 38.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 53.9 Cg_endo -69.78 140.09 41.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.408 HG21 ' C ' ' A' ' 22' ' ' HIS . 25.5 p -93.6 133.36 37.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 4.2 m-85 -115.02 -64.82 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.1 t -47.07 162.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.471 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 4.0 mp -62.66 -41.87 99.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.4 p -51.91 -15.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 96.6 m-70 63.64 50.32 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -115.64 164.27 14.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 m -74.27 156.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.0 t -49.04 121.78 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.55 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -166.99 158.38 12.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.94 178.8 1.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -67.65 136.06 53.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.2 mtp -133.82 168.34 18.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.556 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.82 164.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.05 105.95 1.86 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.8 t -46.72 147.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -82.26 -43.63 17.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -44.64 119.06 3.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.44 36.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -82.27 -34.43 28.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.0 t -42.4 134.56 2.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -89.46 -40.57 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.6 mt -73.29 -64.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 0.9 OUTLIER 54.55 36.89 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.5 m95 -165.31 122.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 21.4 m-85 -145.57 178.18 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -108.03 130.47 55.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.5 m-85 -40.17 -69.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.84 -54.74 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.59 -41.93 43.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.407 ' CG2' HD11 ' A' ' 49' ' ' LEU . 35.7 m -100.19 25.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.94 71.08 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD11 ' CG2' ' A' ' 47' ' ' VAL . 10.4 mt -120.0 93.54 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.6 m -56.62 -37.95 71.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 52' ' ' LYS . 10.2 m -150.75 146.92 26.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.4 ttmm -34.48 125.44 0.51 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.557 0.694 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 110.85 2.65 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.37 159.93 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.01 -91.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -139.99 172.44 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.556 ' CE3' HG13 ' A' ' 30' ' ' ILE . 90.5 t90 -164.6 125.13 2.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -112.03 109.11 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.528 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 7.8 p -39.44 155.35 0.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.0 Cg_endo -69.75 -2.19 9.74 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.471 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 14.9 mmm180 -98.8 -19.42 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.4 m -101.44 -42.54 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.95 28.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -80.46 44.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.29 -42.32 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.8 p -48.23 -42.86 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.03 100.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' SER . 53.6 Cg_endo -69.79 0.37 5.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.334 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' PRO . 1.1 t -33.37 131.93 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.7 t -94.4 45.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.491 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -140.28 176.45 8.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.373 . . . . 0.0 110.838 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -174.78 132.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.93 118.6 0.46 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -157.67 115.26 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -137.68 130.07 29.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.88 -151.56 10.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -173.8 142.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.327 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.1 107.51 47.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 6.41 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.713 2.276 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.6 m -93.33 162.29 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.67 157.22 12.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -32.66 18.33 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.714 2.276 . . . . 0.0 112.368 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -38.28 -58.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 139.98 67.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 164.23 35.33 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.397 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -137.92 134.11 34.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -116.91 -68.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.458 ' CB ' ' CE1' ' A' ' 43' ' ' HIS . 50.0 t -40.36 158.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD2' ' HD2' ' A' ' 61' ' ' ARG . 3.9 mp -65.82 -31.24 72.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.51 -4.71 4.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 63.24 52.15 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -118.09 164.51 15.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 m -85.53 177.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.1 p -60.0 124.3 19.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.6 p90 -167.96 162.18 13.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.73 -175.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 131.76 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.7 mtp -127.32 169.1 13.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.574 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -138.93 158.88 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.73 111.52 3.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -45.42 159.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -113.91 35.05 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -121.94 128.53 25.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.706 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.92 35.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.84 -30.53 28.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 t -50.11 146.44 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.7 m -104.49 -43.8 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 82.7 mt -76.39 -59.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.557 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 2.2 mt-10 58.45 39.05 25.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 87.5 m95 -166.98 124.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -145.83 168.31 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.458 ' CE1' ' CB ' ' A' ' 19' ' ' CYS . 19.3 m80 -101.82 127.4 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.479 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 6.1 m-85 -36.66 -70.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.29 -46.74 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.5 m -61.56 -53.52 55.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 48' ' ' GLY . 16.2 m -83.79 27.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.3 62.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -107.54 86.65 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -51.55 -39.77 58.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -146.11 143.99 29.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -47.39 122.03 8.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.7 Cg_endo -69.75 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 141.95 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.64 -116.4 4.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -116.0 139.79 49.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.574 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.1 t90 -129.12 151.41 49.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -137.95 122.13 18.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.551 ' HA ' ' CZ2' ' A' ' 57' ' ' TRP . 12.6 p -47.73 155.01 0.84 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 6.97 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HD2' ' CD2' ' A' ' 20' ' ' LEU . 30.9 mtp85 -109.13 -21.67 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.0 m -101.63 -31.05 11.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -87.25 23.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -75.85 48.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 55.54 45.95 23.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' GLY . 4.2 m -56.48 168.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' SER . . . -36.17 120.55 0.57 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 179.79 3.42 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.409 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.1 p 39.37 42.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.4 p -45.89 156.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.496 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.851 0.271 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.2 p -98.99 147.32 25.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -127.72 -75.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t -54.99 161.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.727 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.8 mp -55.9 -30.51 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.4 m -49.92 -17.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 62.51 37.88 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -121.66 166.07 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -69.45 177.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.9 p -63.84 130.58 44.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 2.7 p90 -171.19 161.31 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.35 179.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.88 133.52 50.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.1 mtp -134.49 168.09 19.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.605 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -136.69 172.12 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.76 122.02 5.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.0 t -62.2 133.4 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.362 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.454 ' OD2' ' CZ ' ' A' ' 58' ' ' PHE . 11.4 t70 -67.0 -36.43 82.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -53.51 119.26 17.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.22 34.92 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.617 2.212 . . . . 0.0 112.322 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.97 -39.73 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 t -39.47 129.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.6 m -83.51 -43.67 15.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.02 -64.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 0.9 OUTLIER 58.42 37.99 25.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.3 m95 -165.72 123.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -145.34 151.88 39.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 47' ' ' VAL . 32.4 m80 -79.39 140.88 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' CE1' HG23 ' A' ' 30' ' ' ILE . 3.6 m-85 -52.61 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.33 -31.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.9 m -78.71 -49.29 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' ' 49' ' ' LEU . 30.6 m -83.19 35.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.17 46.97 0.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.6 ' HB2' HG23 ' A' ' 47' ' ' VAL . 11.4 mt -114.53 121.08 42.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 m -86.31 -30.75 22.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.5 p -142.23 169.08 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 31.3 tttm -74.77 111.78 14.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.493 0.663 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 52' ' ' LYS . 54.1 Cg_endo -69.73 130.8 20.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -78.71 145.35 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.92 -128.03 9.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -113.3 152.43 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.605 ' CE3' HG13 ' A' ' 30' ' ' ILE . 61.9 t90 -143.15 130.23 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CZ ' ' OD2' ' A' ' 33' ' ' ASP . 17.9 m-85 -109.1 123.05 48.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.563 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 14.7 p -52.72 154.03 5.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.741 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 7.15 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HD2' HD11 ' A' ' 20' ' ' LEU . 69.0 mtp180 -107.13 -19.93 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.2 m -97.85 -55.85 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.822 -179.809 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.839 0.266 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 p -122.36 124.96 44.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -104.98 -70.91 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 22.4 t -39.76 160.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.637 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.0 mp -62.43 -42.58 99.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -54.62 -12.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 65.93 54.49 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -117.62 170.14 9.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.83 165.58 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -73.37 91.16 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.416 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 8.0 p90 -129.02 171.02 12.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.88 -178.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.13 138.13 57.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.355 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 73.9 mtp -136.09 164.93 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.509 ' CG1' ' CZ3' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -129.63 164.66 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.69 109.93 1.93 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.5 t -45.71 155.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.51 -35.04 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -51.36 124.48 23.92 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -19.0 36.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -82.46 -36.77 26.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.9 t -39.69 126.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 m -83.16 -43.63 15.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.639 HG22 ' H ' ' A' ' 41' ' ' TRP . 67.9 mt -70.97 -68.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 1.6 mt-10 62.89 35.43 13.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.639 ' H ' HG22 ' A' ' 39' ' ' ILE . 86.6 m95 -164.29 121.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 16.4 m-85 -145.54 157.68 43.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.88 ' O ' HG22 ' A' ' 47' ' ' VAL . 52.8 m-70 -87.1 144.65 26.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.5 m-85 -56.84 -62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.17 -51.78 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.12 -55.14 30.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 43' ' ' HIS . 26.9 m -83.4 34.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.4 64.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -120.44 87.86 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 t -56.31 -32.86 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.6 p -152.68 156.71 39.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.38 122.18 8.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 130.79 20.09 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.404 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 54' ' ' ARG . 21.3 ttp-105 -74.96 147.36 40.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.55 177.16 6.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -47.76 136.68 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.535 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 70.9 t90 -124.93 126.92 46.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.25 123.61 50.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.535 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 12.6 p -48.68 153.91 1.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.2 2.34 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.628 ' HD2' HD21 ' A' ' 20' ' ' LEU . 9.0 mtp-105 -103.87 -21.11 13.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 88.0 m -98.27 -45.14 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.808 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.884 0.285 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 p -143.26 132.05 22.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.499 ' HB3' HG23 ' A' ' 39' ' ' ILE . 79.3 m-85 -119.27 -67.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 6.5 t -45.82 160.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.785 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.2 mp -55.84 -47.63 76.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 p -51.05 -16.59 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.6 m80 64.14 54.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -114.34 163.36 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m -80.71 156.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -44.37 101.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -143.65 153.96 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.67 -167.5 3.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.511 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 27.9 mt-10 -75.61 139.13 41.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 82.5 mtp -133.61 169.26 17.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.58 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -143.5 163.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.02 120.83 5.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.2 t -53.42 149.44 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.505 ' HB3' ' CE1' ' A' ' 58' ' ' PHE . 6.2 t70 -97.39 30.2 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -118.85 121.0 30.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.88 12.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.35 -21.38 15.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.97 127.17 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 t -78.89 -46.49 18.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.95 HD12 ' NH2' ' A' ' 61' ' ' ARG . 96.6 mt -72.4 -63.69 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 36.7 tt0 55.44 43.51 28.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 70.4 m95 -169.46 123.75 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 16.3 m-85 -145.03 178.52 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 47' ' ' VAL . 75.4 m-70 -107.97 141.18 40.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.7 m-85 -52.73 -64.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.32 -46.95 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.26 -52.07 66.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 43' ' ' HIS . 27.7 m -84.52 31.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.49 64.08 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 49' ' ' LEU . 12.0 mt -120.29 93.01 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.2 t -55.78 -39.87 71.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.0 p -145.0 165.84 27.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -54.17 118.06 14.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 124.06 10.71 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -75.69 152.44 37.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.12 -152.3 38.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 58' ' ' PHE . 5.7 ptpp? -87.59 126.6 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.58 ' CE3' HG13 ' A' ' 30' ' ' ILE . 92.5 t90 -109.13 134.96 51.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 33' ' ' ASP . 84.9 m-85 -122.3 124.09 42.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.575 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 14.0 p -48.43 153.85 1.25 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 5.18 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.95 ' NH2' HD12 ' A' ' 39' ' ' ILE . 38.2 mtm180 -104.37 -23.31 13.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.6 m -94.84 -46.81 6.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.823 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.847 0.27 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.1 p -116.74 157.53 25.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -131.3 -74.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 t -53.82 158.87 1.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.749 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.0 mp -52.15 -34.72 46.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.6 m -49.92 -20.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 62.33 47.84 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -124.7 178.3 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.2 m -75.28 166.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -66.31 98.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 4.9 p90 -135.78 168.41 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.66 176.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 28.3 mt-10 -59.67 135.05 57.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 61.4 mtp -137.28 162.11 34.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.62 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -132.94 172.55 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -120.18 102.04 0.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.544 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' GLY . 43.9 t -37.59 135.87 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.521 ' OD2' ' CZ ' ' A' ' 58' ' ' PHE . 35.1 t0 -62.24 -41.7 98.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -55.53 118.47 19.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -21.77 33.21 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.53 -36.1 52.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -42.8 112.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.6 p -61.76 -48.47 80.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 41' ' ' TRP . 81.4 mt -67.35 -62.6 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 35.9 tt0 49.38 41.69 21.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 82.5 m95 -167.81 124.23 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -143.64 176.66 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.606 ' O ' HG22 ' A' ' 47' ' ' VAL . 40.3 m80 -100.83 134.55 43.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 28' ' ' GLU . 3.8 m-85 -47.37 -64.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.06 -47.71 8.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.2 m -59.69 -53.7 54.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 43' ' ' HIS . 28.6 m -81.54 36.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 32.47 48.72 0.34 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.536 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.477 ' HB2' HG23 ' A' ' 47' ' ' VAL . 11.8 mt -111.73 88.99 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.5 m -56.5 -38.81 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 p -145.17 159.55 42.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -52.81 117.33 10.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.634 0.731 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.02 32.38 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -89.49 165.34 14.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.62 -143.41 13.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -89.34 170.76 10.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.586 ' CE3' HG13 ' A' ' 30' ' ' ILE . 65.8 t90 -148.86 127.53 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CZ ' ' OD2' ' A' ' 33' ' ' ASP . 58.4 m-85 -107.8 117.03 33.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 13.9 p -43.71 155.7 0.31 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.724 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.5 Cg_endo -69.76 3.8 2.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.636 2.224 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -103.9 -24.57 13.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.6 m -95.72 -43.53 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.845 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.205 0 CA-C-O 120.839 0.266 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 p -126.4 130.12 50.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -109.83 -69.91 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.1 t -44.65 165.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.0 mp -67.46 -40.23 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 p -52.68 -14.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.6 m80 65.46 52.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.85 164.41 16.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 m -77.87 162.06 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -52.75 121.06 6.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -170.81 158.71 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.19 179.05 1.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.14 132.86 55.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.7 mtp -137.67 168.89 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.569 HG13 ' CZ3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -139.32 167.29 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.0 100.37 0.93 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.8 t -38.16 134.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' A' ' 57' ' ' TRP . 1.7 m-20 -59.92 -39.13 84.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -60.8 117.65 27.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.85 30.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.8 m-20 -75.15 -41.65 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.6 t -36.16 124.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -69.46 -51.25 37.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLU . 41.2 mt -69.5 -54.02 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 3.3 pt-20 36.36 37.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 68.5 m95 -165.58 112.67 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -136.5 174.72 10.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.834 ' O ' HG22 ' A' ' 47' ' ' VAL . 64.4 m-70 -102.37 141.31 35.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.3 m-85 -52.81 -64.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.18 -46.97 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.2 m -62.29 -51.97 65.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.834 HG22 ' O ' ' A' ' 43' ' ' HIS . 30.8 m -84.04 31.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.56 61.91 0.43 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -115.55 90.79 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 t -54.68 -32.76 59.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -147.85 174.76 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -76.85 122.98 87.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.4 Cg_endo -69.74 146.66 60.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -105.05 163.19 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.23 -87.96 0.69 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -146.42 142.63 28.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CZ3' HG13 ' A' ' 30' ' ' ILE . 87.8 t90 -135.11 116.44 14.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 33' ' ' ASP . 76.5 m-85 -104.42 117.54 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.6 p -42.44 153.95 0.29 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.667 0.746 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 4.49 2.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.244 . . . . 0.0 112.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HD2' HD11 ' A' ' 20' ' ' LEU . 22.7 mtp-105 -104.72 -22.57 13.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.1 m -95.47 -48.42 5.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.806 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.87 0.279 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 p -81.28 139.62 35.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -117.17 -73.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 7.6 t -41.71 162.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.643 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.9 mp -59.35 -46.55 88.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 16.1 p -52.12 -13.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 80.5 m-70 65.21 55.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -117.67 173.2 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 m -93.75 160.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -47.24 110.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -150.31 156.33 41.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.813 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.36 -145.42 27.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -94.02 132.59 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.5 mtp -136.98 155.42 49.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.565 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.44 166.51 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.54 106.6 1.6 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.53 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 t -43.08 147.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -82.8 -37.47 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -50.54 122.37 15.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -22.34 32.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -77.9 -38.19 46.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.0 t -39.46 133.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -90.09 -42.41 11.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.83 -63.89 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 2.4 mt-10 57.28 34.63 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 91.9 m95 -165.75 119.4 1.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 22.2 m-85 -145.67 141.86 28.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' O ' HG22 ' A' ' 47' ' ' VAL . 28.5 m80 -74.0 138.48 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 49' ' ' LEU . 4.5 m-85 -49.99 -66.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.88 -45.71 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.43 -51.16 71.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 43' ' ' HIS . 16.1 m -90.63 26.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.77 68.14 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 10.4 mt -112.74 91.72 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.9 m -59.63 -36.92 77.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -141.87 160.27 40.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.56 125.58 89.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 102.68 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.84 79.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.13 -165.83 26.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -59.17 136.36 57.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.313 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.567 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 86.4 t90 -141.03 115.0 9.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -98.17 110.03 22.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.567 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.0 p -40.17 154.6 0.19 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 9.05 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.642 ' HD2' HD21 ' A' ' 20' ' ' LEU . 46.8 mtp180 -110.02 -24.89 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.9 m -92.47 -44.18 8.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.797 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.221 0 CA-C-O 120.872 0.28 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.439 HG22 ' C ' ' A' ' 23' ' ' GLN . 20.0 p -123.98 141.06 52.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.449 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 11.2 m-85 -118.95 -68.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 7.6 t -43.44 162.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.704 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.7 mp -59.7 -47.28 86.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' CG ' ' A' ' 23' ' ' GLN . 14.5 p -52.6 -13.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 38.4 m-70 64.2 55.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.439 ' C ' HG22 ' A' ' 17' ' ' THR . 4.4 mm100 -111.54 170.38 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.63 161.86 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -56.06 102.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.9 p90 -145.82 166.23 26.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.92 -179.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.457 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.09 140.73 58.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 59.6 mtp -136.77 156.52 48.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.609 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.13 167.16 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.22 105.67 1.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.536 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.9 t -45.93 158.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -98.29 -35.29 10.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 36' ' ' ASP . 33.3 t30 -47.22 124.04 8.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -18.56 36.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 1.5 m-20 -82.6 -38.18 23.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 2.0 t -39.16 134.29 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.7 m -93.2 -41.01 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 43.2 mt -70.65 -65.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.562 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 7.0 mm-40 67.5 28.42 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 96.5 m95 -165.17 131.45 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 17.6 m-85 -145.88 -179.42 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 30.8 m80 -110.41 123.87 50.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.0 m-85 -37.1 -70.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.37 -57.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.1 m -49.36 -52.47 28.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.4 m -83.54 25.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.61 59.8 2.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 49' ' ' LEU . 8.1 mt -113.94 82.8 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 51' ' ' THR . 8.8 t -47.82 -40.65 21.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.417 ' N ' HG23 ' A' ' 50' ' ' THR . 40.9 p -141.14 167.98 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -59.98 128.6 87.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 116.03 4.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -67.92 146.02 54.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.47 -115.44 5.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -108.43 164.7 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.566 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 70.4 t90 -152.32 132.55 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.7 118.99 33.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.5 p -45.44 155.23 0.46 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.77 3.98 2.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 9.6 mtm105 -104.64 -21.51 13.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.9 m -100.04 -38.31 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.856 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.872 0.28 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.484 HG22 ' C ' ' A' ' 23' ' ' GLN . 7.9 p -108.88 127.34 53.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -108.65 -70.6 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 13.7 t -40.25 160.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.778 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.8 mp -60.63 -44.3 96.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 p -53.23 -13.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.3 m80 63.58 54.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.484 ' C ' HG22 ' A' ' 17' ' ' THR . 4.8 mm100 -111.85 173.18 6.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.43 157.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -48.44 109.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -159.82 161.79 34.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.48 -176.59 0.63 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.28 134.65 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 84.8 mtp -139.0 164.56 29.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.586 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -136.98 167.39 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -116.06 101.02 0.97 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' GLY . 17.9 t -34.79 136.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.589 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -64.12 -39.83 94.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -55.47 120.56 32.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.86 29.23 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' CYS . 5.0 t70 -75.01 -39.68 61.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ASP . 5.5 t -37.36 114.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.2 m -66.12 -44.94 82.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 41' ' ' TRP . 58.6 mt -71.65 -61.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.588 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 55.5 tt0 46.72 44.67 14.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 73.4 m95 -169.52 117.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -143.46 157.97 44.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.432 ' O ' HG22 ' A' ' 47' ' ' VAL . 87.5 m-70 -88.54 134.39 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.8 m-85 -45.82 -69.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.59 -49.44 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.1 m -53.7 -50.59 65.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG23 ' HG ' ' A' ' 49' ' ' LEU . 34.0 m -93.04 34.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.13 70.98 0.14 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.449 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.564 ' HG ' HG23 ' A' ' 47' ' ' VAL . 9.6 mt -116.62 94.41 4.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.4 m -58.91 -36.69 75.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 p -150.8 168.91 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -65.81 117.0 37.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.6 Cg_endo -69.76 96.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.737 2.292 . . . . 0.0 112.314 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -58.29 158.33 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.65 -96.34 1.76 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -137.63 160.1 40.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.503 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.1 t90 -155.69 115.01 3.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 33' ' ' ASP . 78.5 m-85 -106.55 121.79 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.1 p -47.76 154.53 0.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 6.52 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -107.99 -20.25 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.0 m -101.79 -35.54 9.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.823 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.873 0.28 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' C ' ' A' ' 23' ' ' GLN . 21.4 p -131.1 121.61 25.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.512 ' HB3' HG23 ' A' ' 39' ' ' ILE . 10.6 m-85 -102.04 -68.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 21.3 t -40.8 159.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.692 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.9 mp -62.02 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 23' ' ' GLN . 15.0 p -52.62 -14.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.3 m80 66.74 54.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.524 ' C ' HG22 ' A' ' 17' ' ' THR . 9.4 mm-40 -114.22 166.4 11.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 m -80.53 160.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -53.79 102.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -147.48 164.0 34.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 178.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.95 128.11 34.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.4 mtp -132.3 160.89 34.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.63 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -126.66 169.1 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.59 99.3 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.1 t -39.87 132.1 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.32 -38.73 88.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.531 ' ND2' ' OD2' ' A' ' 36' ' ' ASP . 10.8 t30 -50.36 119.73 11.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 -32.01 19.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.531 ' OD2' ' ND2' ' A' ' 34' ' ' ASN . 3.7 p-10 -68.38 -41.27 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 34' ' ' ASN . 6.7 t -34.75 137.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 m -88.37 -45.5 9.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.583 HG22 ' H ' ' A' ' 41' ' ' TRP . 60.4 mt -67.98 -65.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.566 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 4.3 mt-10 60.97 30.88 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.583 ' H ' HG22 ' A' ' 39' ' ' ILE . 91.0 m95 -166.64 128.23 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 39.6 m-85 -145.76 178.43 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.423 ' O ' HG22 ' A' ' 47' ' ' VAL . 47.7 m80 -109.09 128.04 54.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.452 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.2 m-85 -42.08 -39.44 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.39 -56.39 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.22 -47.82 54.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.617 HG21 HD12 ' A' ' 49' ' ' LEU . 23.2 m -75.72 -41.94 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 47' ' ' VAL . . . 103.66 34.11 3.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.617 HD12 HG21 ' A' ' 47' ' ' VAL . 26.1 mt -91.48 104.15 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 t -59.23 -37.14 76.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -147.02 148.67 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -43.65 117.17 2.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.488 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 54.0 Cg_endo -69.78 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -59.89 162.55 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.5 -122.08 10.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -108.64 143.25 37.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.595 ' CE2' HD11 ' A' ' 49' ' ' LEU . 89.7 t90 -140.66 133.65 29.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -120.88 125.4 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.5 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.1 p -50.55 154.93 2.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.3 Cg_endo -69.73 10.26 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.385 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 59' ' ' CYS . 12.5 mtp-105 -109.96 -27.8 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 78.3 m -91.78 -45.52 8.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.819 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.846 0.269 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' C ' ' A' ' 23' ' ' GLN . 24.3 p -106.3 133.98 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' CYS . 68.5 m-85 -116.91 -68.57 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 13.4 t -39.73 161.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.584 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.2 mp -59.3 -43.75 92.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.8 p -56.66 -11.75 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 63.45 54.39 1.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' C ' HG22 ' A' ' 17' ' ' THR . 4.8 mm100 -111.61 165.35 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.2 m -81.24 160.26 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 t -52.3 101.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.3 p90 -147.44 167.67 23.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.48 -173.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -68.44 133.99 49.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.7 mtp -138.12 167.61 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.587 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -138.26 168.75 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.087 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.36 100.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.516 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.5 t -40.35 136.18 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.23 -41.55 99.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -52.64 118.82 13.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -26.6 27.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.5 m-20 -74.6 -41.33 60.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.7 t -37.12 119.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.4 p -69.95 -46.25 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.638 HG22 ' H ' ' A' ' 41' ' ' TRP . 29.6 mt -72.37 -54.02 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 4.0 pt-20 35.62 37.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.638 ' H ' HG22 ' A' ' 39' ' ' ILE . 72.9 m95 -164.76 115.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -136.3 177.92 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.538 ' O ' HG22 ' A' ' 47' ' ' VAL . 53.2 m80 -106.66 134.52 49.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 6.7 m-85 -48.09 -42.63 29.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.12 -46.34 77.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.2 -50.05 75.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 43' ' ' HIS . 28.8 m -74.01 -30.06 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.51 33.41 7.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.4 119.65 25.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.8 m -72.69 -43.48 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.5 p -142.43 152.4 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -46.34 121.28 6.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.515 0.674 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 146.58 60.83 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.651 2.234 . . . . 0.0 112.369 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -102.24 173.57 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.41 -109.33 1.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.59 130.24 50.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.587 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.4 t90 -117.27 117.03 28.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -102.63 122.14 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.547 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 16.5 p -49.0 154.06 1.38 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.02 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HD2' HD11 ' A' ' 20' ' ' LEU . 18.6 mtp-105 -105.85 -28.35 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.4 m -89.22 -44.74 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.827 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.878 0.283 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.7 p -94.86 147.86 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.417 ' HB3' HG23 ' A' ' 39' ' ' ILE . 30.7 m-85 -128.18 -68.1 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 36.6 t -41.34 162.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.641 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.1 mp -62.27 -36.68 82.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -63.86 -4.84 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 64.04 54.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -121.16 165.19 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.3 m -93.19 174.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 p -51.3 124.12 11.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -170.25 138.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.58 -151.64 52.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.422 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -86.08 131.55 34.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.3 mtp -136.94 164.8 27.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.611 HD11 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -138.21 169.68 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.75 108.59 1.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 14.5 t -43.27 136.83 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.79 -36.3 75.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -52.49 123.46 29.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.589 0.709 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -21.34 33.69 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' CYS . 36.0 t0 -79.86 -36.86 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.0 t -37.65 110.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.9 m -66.83 -43.47 83.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.466 HD12 ' NH2' ' A' ' 61' ' ' ARG . 94.7 mt -77.01 -65.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.535 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 35.2 tt0 58.23 45.17 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.535 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 76.5 m95 -167.93 123.39 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 14.2 m-85 -145.51 167.89 21.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -99.61 132.91 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.459 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.6 m-85 -45.56 -58.03 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.5 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.3 m -72.82 -37.74 67.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.567 ' CG2' HD12 ' A' ' 49' ' ' LEU . 30.7 m -100.1 29.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.35 68.43 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.567 HD12 ' CG2' ' A' ' 47' ' ' VAL . 11.8 mt -120.93 96.28 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.3 p -57.07 -36.03 70.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 t -147.92 172.14 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -67.74 118.15 54.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.702 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 135.74 31.2 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.724 2.282 . . . . 0.0 112.279 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 1.6 tmm_? -88.0 149.71 23.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 54' ' ' ARG . . . 84.49 -117.57 4.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -116.73 165.69 12.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.611 ' CH2' HD11 ' A' ' 30' ' ' ILE . 77.7 t90 -147.75 121.07 8.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -104.24 104.79 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -38.73 154.29 0.15 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.722 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 4.11 2.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.498 ' HD3' HD21 ' A' ' 20' ' ' LEU . 16.7 mtm105 -105.15 -20.11 13.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.7 m -94.94 -54.3 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.883 0.284 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -100.45 131.55 46.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.6 ' HB3' HG23 ' A' ' 39' ' ' ILE . 45.4 m-85 -113.44 -67.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 12.1 t -41.94 162.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.609 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.6 mp -60.65 -44.98 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 20.6 p -54.46 -11.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 69.7 m-70 63.8 54.22 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -112.76 166.32 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.9 162.5 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t -56.03 101.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.1 p90 -152.56 161.37 42.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.5 -178.04 1.69 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.96 129.51 40.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.6 mtp -134.82 166.6 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.577 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -138.04 162.76 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -114.43 98.3 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' GLY . 12.2 t -36.15 146.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.75 -36.51 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.64 120.7 55.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -30.27 22.29 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' CYS . 83.6 m-20 -69.88 -40.02 75.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' ASP . 8.2 t -32.84 120.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -62.26 -51.77 66.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.695 HG22 ' H ' ' A' ' 41' ' ' TRP . 54.9 mt -73.42 -69.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.604 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 10.6 tm-20 66.08 28.3 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.695 ' H ' HG22 ' A' ' 39' ' ' ILE . 57.0 m95 -165.46 118.67 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.04 176.05 9.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 47' ' ' VAL . 37.4 m80 -101.72 148.54 25.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.9 m-85 -58.74 -66.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.64 -42.51 7.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.9 m -65.09 -45.86 83.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 43' ' ' HIS . 22.1 m -92.71 34.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.85 65.39 0.39 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' HG ' HG23 ' A' ' 47' ' ' VAL . 11.3 mt -122.58 88.84 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 p -51.26 -39.94 57.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.4 t -144.88 168.8 19.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -66.67 117.02 40.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.416 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.5 Cg_endo -69.81 104.35 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -64.17 102.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . 124.32 168.27 12.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' GLY . 29.3 mttm -36.51 140.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.577 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.3 t90 -139.32 125.62 20.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -116.35 119.64 36.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.522 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.5 p -46.17 155.19 0.55 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.2 Cg_endo -69.8 12.03 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 61' ' ' ARG . 14.0 mtp-105 -112.3 -28.59 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.5 m -90.69 -48.41 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.771 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.875 0.281 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 p -103.55 132.67 49.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.542 ' HB3' HG23 ' A' ' 39' ' ' ILE . 5.4 m-85 -113.49 -67.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.9 t -44.8 164.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 5.1 mp -65.48 -38.92 91.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.4 p -55.58 -12.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 63.28 47.01 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -114.0 168.82 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 m -75.42 164.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 t -57.2 125.07 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.7 p90 -169.06 162.8 11.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.09 175.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -62.32 137.74 58.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.8 mtp -134.16 167.08 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.613 HD11 ' CH2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -134.72 165.58 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.21 105.17 1.72 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.8 t -43.57 133.69 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -35.93 82.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -56.65 117.73 18.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -25.38 28.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' CYS . 66.0 m-20 -75.08 -39.13 60.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ASP . 7.2 t -36.52 151.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 m -104.2 -42.91 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 18' ' ' TYR . 80.3 mt -70.59 -51.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 1.4 mt-10 40.63 37.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 84.7 m95 -166.85 122.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 29.0 m-85 -145.92 179.97 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.559 ' O ' HG22 ' A' ' 47' ' ' VAL . 23.9 m80 -108.87 132.24 54.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.8 m-85 -43.47 -68.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.66 -52.59 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.4 m -54.61 -53.42 54.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 43' ' ' HIS . 34.6 m -83.18 31.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.64 60.48 0.51 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 49' ' ' LEU . 8.8 mt -115.13 83.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.883 0.373 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 m -46.07 -40.85 11.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.5 p -145.23 162.86 36.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -51.17 121.25 15.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.52 51.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -91.83 179.45 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.78 -125.75 9.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.426 ' HD2' ' CZ ' ' A' ' 58' ' ' PHE . 17.3 pttm -106.51 138.31 42.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.613 ' CH2' HD11 ' A' ' 30' ' ' ILE . 85.2 t90 -124.52 119.65 29.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.426 ' CZ ' ' HD2' ' A' ' 56' ' ' LYS . 90.4 m-85 -105.34 119.84 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 12.2 p -47.97 154.48 0.99 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.25 6.66 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.282 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.474 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 14.4 mmm180 -98.01 -22.86 16.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.8 m -95.36 -55.26 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.817 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.863 0.276 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 p -117.52 133.86 55.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -115.74 -70.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 12.8 t -40.78 161.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.603 HD21 ' HD2' ' A' ' 61' ' ' ARG . 5.6 mp -60.4 -45.2 94.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 p -54.36 -13.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 40.5 m80 65.96 55.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -115.21 175.48 5.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -88.2 165.55 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -57.99 100.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.4 p90 -145.33 166.12 26.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.41 -176.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.496 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 68.1 mm-40 -64.72 131.86 48.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.5 mtp -132.87 169.5 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.502 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -141.15 161.63 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -112.81 99.5 1.03 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' GLY . 19.4 t -36.02 146.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.606 ' OD1' ' CD1' ' A' ' 58' ' ' PHE . 1.1 p30 -73.44 -45.65 53.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -49.91 123.1 14.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -29.74 23.27 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' CYS . 26.6 t0 -70.89 -41.9 70.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.9 t -34.99 111.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 t -66.26 -42.55 88.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' ' 41' ' ' TRP . 64.6 mt -70.21 -65.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.569 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 30.9 tt0 48.12 40.93 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 71.6 m95 -169.37 119.3 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -142.16 176.91 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -107.95 130.73 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CD1' ' HB3' ' A' ' 28' ' ' GLU . 5.4 m-85 -42.64 -65.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.08 -39.16 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 m -68.6 -38.74 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.8 m -99.08 27.87 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 37.81 65.59 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.0 mt -119.83 98.9 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.5 p -59.19 -40.14 84.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 m -145.2 156.8 44.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -54.19 121.78 32.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.0 43.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -99.69 110.39 22.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.45 -167.25 12.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 58' ' ' PHE . 23.0 pttp -67.42 125.63 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.719 0.295 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.502 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.4 t90 -120.27 109.61 15.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CD1' ' OD1' ' A' ' 33' ' ' ASP . 76.1 m-85 -94.14 103.85 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 61' ' ' ARG . 12.7 p -36.72 153.98 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.651 0.739 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 13.87 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.603 ' HD2' HD21 ' A' ' 20' ' ' LEU . 13.8 mtp-105 -117.15 -22.49 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.7 m -96.16 -34.24 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.904 0.294 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -116.4 139.01 50.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.477 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 73.9 m-85 -122.71 -57.73 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' CB ' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t -55.12 160.12 2.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.587 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.9 mp -62.54 -36.53 82.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -60.97 -8.49 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 63.79 55.0 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -121.82 168.85 11.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.9 169.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 m -73.03 95.32 2.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -127.77 172.05 11.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.57 -171.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -69.67 135.04 49.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 59.4 mtp -138.4 155.66 48.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.557 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -120.97 168.49 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.44 109.83 1.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.8 t -45.59 156.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -97.38 -29.79 13.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -53.92 124.19 42.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -21.41 33.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.16 -32.23 33.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.2 t -40.5 138.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 p -96.66 -40.39 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 39.3 mt -78.78 -62.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 2.7 mt-10 60.61 37.78 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 84.6 m95 -167.27 121.1 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -145.43 165.24 29.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.854 ' O ' HG22 ' A' ' 47' ' ' VAL . 25.8 m80 -93.81 138.91 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.811 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.1 m-85 -50.21 -52.73 33.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.11 -57.46 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.66 -41.83 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.854 HG22 ' O ' ' A' ' 43' ' ' HIS . 30.8 m -97.27 27.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.42 70.63 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.98 99.47 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 t -62.88 -24.28 67.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.2 t -157.27 168.65 26.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -63.95 124.69 85.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 101.07 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -65.72 149.77 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.96 -116.7 4.52 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -110.93 153.93 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 88.7 t90 -146.53 120.22 9.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -104.63 106.52 17.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.552 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.7 p -38.48 154.49 0.14 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 3.47 2.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -104.4 -21.16 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.2 m -95.04 -46.33 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.825 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.868 0.278 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 p -84.25 131.9 34.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -108.42 -71.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 41.0 t -44.59 162.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.778 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.8 mp -64.7 -35.87 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 30.6 p -62.27 -5.44 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 82.3 m-70 64.12 55.05 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -127.23 164.74 21.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -94.97 168.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 t -63.54 108.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -126.0 -19.49 4.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -140.8 -155.96 6.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -65.1 131.79 47.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.357 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.7 mtp -137.59 166.5 23.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.596 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.06 163.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.98 101.03 1.02 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 29.7 t -38.5 127.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' HB3' ' CE2' ' A' ' 58' ' ' PHE . 13.4 t70 -56.81 -37.59 71.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -56.33 119.34 27.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.26 32.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -77.53 -35.85 52.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -40.21 114.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -66.28 -46.46 76.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.8 mt -72.32 -63.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.551 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 30.5 tt0 52.4 44.18 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 78.3 m95 -168.02 122.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 10.9 m-85 -145.53 166.4 25.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.523 ' O ' HG22 ' A' ' 47' ' ' VAL . 53.3 m80 -96.0 128.24 42.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.3 m-85 -38.54 -64.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.44 -58.1 4.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.6 m -45.48 -54.58 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.654 HG21 HD12 ' A' ' 49' ' ' LEU . 27.3 m -83.91 29.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.26 58.03 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.654 HD12 HG21 ' A' ' 47' ' ' VAL . 11.1 mt -113.51 -45.67 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.961 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.5 p 38.27 27.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' LEU . 8.1 m -165.96 162.23 17.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 51' ' ' THR . 33.2 tttt -97.67 104.78 22.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 86.88 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.5 136.45 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.53 -88.06 0.49 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -155.28 134.83 12.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.337 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.613 ' NE1' HD11 ' A' ' 49' ' ' LEU . 81.8 t90 -129.6 147.66 51.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.406 ' CE2' ' HB3' ' A' ' 33' ' ' ASP . 48.9 m-85 -132.54 125.33 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 13.9 p -50.94 154.57 2.43 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 6.7 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.272 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 -106.6 -24.63 12.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -95.49 -49.77 5.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.842 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.908 0.295 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 23' ' ' GLN . 17.2 p -108.23 130.95 55.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.475 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 4.8 m-85 -111.45 -70.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.2 t -40.94 162.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.679 HD21 ' HD2' ' A' ' 61' ' ' ARG . 5.0 mp -64.57 -36.31 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -57.73 -11.86 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.0 m80 62.68 46.15 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.6 ' O ' HG22 ' A' ' 17' ' ' THR . 26.9 mt-30 -108.87 -176.04 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 m -92.94 165.57 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 t -62.06 116.83 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 p90 -163.06 167.86 21.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.71 -179.37 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -63.35 133.71 54.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 82.6 mtp -138.35 166.57 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.533 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -136.42 172.16 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -124.08 104.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.2 t -39.0 153.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -107.13 32.09 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -118.34 128.57 25.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -19.06 36.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -84.65 -25.14 28.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 t -55.37 128.32 33.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -84.43 -44.83 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 22.8 mt -78.29 -60.26 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.589 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 33.4 tt0 58.82 41.79 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 68.9 m95 -168.91 124.5 0.91 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -144.85 179.89 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.833 ' O ' HG22 ' A' ' 47' ' ' VAL . 58.5 m80 -106.38 145.71 31.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.02 -42.5 76.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.14 52.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -53.57 -50.05 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 43' ' ' HIS . 30.2 m -74.73 -35.25 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.17 33.58 5.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.904 HD11 ' NE1' ' A' ' 57' ' ' TRP . 19.4 mt -94.45 104.26 16.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.9 p -58.82 -45.47 89.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -137.39 140.65 41.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -39.07 124.33 1.27 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.9 Cg_endo -69.7 156.5 63.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.254 . . . . 0.0 112.369 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 55' ' ' GLY . 26.6 ttp180 -115.59 159.29 21.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 54' ' ' ARG . . . 73.9 -95.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -135.24 136.91 42.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.904 ' NE1' HD11 ' A' ' 49' ' ' LEU . 88.3 t90 -132.04 115.71 16.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -104.38 116.92 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.541 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.5 p -43.98 154.54 0.37 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.679 ' HD2' HD21 ' A' ' 20' ' ' LEU . 29.1 mtp180 -103.95 -22.7 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.0 m -98.69 -44.54 6.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.8 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.835 0.265 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.3 p -107.81 140.97 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.448 ' HB3' HG23 ' A' ' 39' ' ' ILE . 78.3 m-85 -123.64 -62.25 1.32 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 9.8 t -52.15 157.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.706 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.1 mp -54.85 -45.07 74.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 p -53.55 -14.16 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 63.03 54.92 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -116.45 163.45 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 m -79.48 162.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -52.58 116.14 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.534 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -161.0 156.36 24.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.94 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.21 -161.76 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 2.4 mp0 -80.24 138.03 36.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mtp -137.41 166.88 22.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.5 168.53 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -116.06 94.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' GLY . 14.1 t -34.75 141.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -76.18 -40.58 52.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -48.46 119.96 8.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -14.52 36.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -85.05 -34.49 22.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -46.75 108.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -64.23 -43.84 93.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.474 HD12 ' NH1' ' A' ' 61' ' ' ARG . 58.8 mt -70.33 -61.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.574 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 33.4 tt0 53.35 41.73 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.574 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 75.3 m95 -168.72 120.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -142.28 172.84 12.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 47' ' ' VAL . 88.8 m-70 -101.19 138.29 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.0 m-85 -50.5 -65.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.33 -49.32 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.64 -49.72 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 43' ' ' HIS . 21.6 m -93.64 32.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 32.68 69.84 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.472 ' HG ' HG23 ' A' ' 47' ' ' VAL . 14.3 mt -116.28 90.15 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -57.0 -35.15 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 m -150.17 144.93 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.35 120.09 11.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.573 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.5 Cg_endo -69.73 125.5 12.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 11.3 mtm105 -77.27 148.2 35.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.34 -126.04 7.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -101.04 151.05 22.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.326 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.573 ' CD1' ' HG3' ' A' ' 53' ' ' PRO . 78.1 t90 -146.93 116.3 7.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.28 106.54 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.542 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 21.3 p -38.6 154.8 0.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.78 5.68 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.474 ' NH1' HD12 ' A' ' 39' ' ' ILE . 1.9 ttt-85 -104.14 -31.05 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.6 m -83.22 -54.29 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.797 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.835 0.265 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -93.6 133.36 37.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.606 ' HB3' HG23 ' A' ' 39' ' ' ILE . 4.2 m-85 -115.02 -64.82 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.1 t -47.07 162.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.766 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.0 mp -62.66 -41.87 99.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.4 p -51.91 -15.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.7 m80 63.64 50.32 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -115.64 164.27 14.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 m -74.27 156.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.0 t -49.04 121.78 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.55 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -166.99 158.38 12.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.94 178.8 1.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -67.65 136.06 53.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.2 mtp -133.82 168.34 18.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.573 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.82 164.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.05 105.95 1.86 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.8 t -46.72 147.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -82.26 -43.63 17.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -44.64 119.06 3.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.44 36.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -82.27 -34.43 28.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' HG ' ' HG ' ' A' ' 62' ' ' CYS . 8.0 t -42.4 134.56 2.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -89.46 -40.57 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.606 HG23 ' HB3' ' A' ' 18' ' ' TYR . 29.6 mt -73.29 -64.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 0.9 OUTLIER 54.55 36.89 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.5 m95 -165.31 122.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 21.4 m-85 -145.57 178.18 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.412 ' O ' HG22 ' A' ' 47' ' ' VAL . 29.0 m80 -108.03 130.47 55.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.5 m-85 -40.17 -69.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.84 -54.74 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.59 -41.93 43.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 43' ' ' HIS . 35.7 m -100.19 25.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.94 71.08 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.0 93.54 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.6 m -56.62 -37.95 71.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 52' ' ' LYS . 10.2 m -150.75 146.92 26.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.4 ttmm -34.48 125.44 0.51 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.557 0.694 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 110.85 2.65 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.37 159.93 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.01 -91.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -139.99 172.44 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.573 ' CE3' HG13 ' A' ' 30' ' ' ILE . 90.5 t90 -164.6 125.13 2.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -112.03 109.11 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.533 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 7.8 p -39.44 155.35 0.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.0 Cg_endo -69.75 -2.19 9.74 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.483 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 14.9 mmm180 -98.8 -19.42 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.458 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 87.4 m -101.44 -42.54 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.195 0 CA-C-O 120.847 0.269 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.498 HG22 ' C ' ' A' ' 23' ' ' GLN . 5.2 p -137.92 134.11 34.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.135 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.528 ' HB3' HG23 ' A' ' 39' ' ' ILE . 60.6 m-85 -116.91 -68.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 50.0 t -40.36 158.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.92 HD21 ' HD2' ' A' ' 61' ' ' ARG . 3.9 mp -65.82 -31.24 72.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.51 -4.71 4.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 63.24 52.15 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.498 ' C ' HG22 ' A' ' 17' ' ' THR . 9.2 mm100 -118.09 164.51 15.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 m -85.53 177.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.1 p -60.0 124.3 19.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -167.96 162.18 13.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.73 -175.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 131.76 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.7 mtp -127.32 169.1 13.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.597 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -138.93 158.88 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.73 111.52 3.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -45.42 159.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -113.91 35.05 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -121.94 128.53 25.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.706 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.92 35.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.84 -30.53 28.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 t -50.11 146.44 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.7 m -104.49 -43.8 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 18' ' ' TYR . 82.7 mt -76.39 -59.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.557 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 2.2 mt-10 58.45 39.05 25.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 87.5 m95 -166.98 124.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -145.83 168.31 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 19.3 m80 -101.82 127.4 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.479 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 6.1 m-85 -36.66 -70.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.29 -46.74 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.5 m -61.56 -53.52 55.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 43' ' ' HIS . 16.2 m -83.79 27.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.3 62.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.0 mt -107.54 86.65 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -51.55 -39.77 58.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -146.11 143.99 29.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -47.39 122.03 8.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.7 Cg_endo -69.75 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 141.95 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.64 -116.4 4.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -116.0 139.79 49.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.597 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.1 t90 -129.12 151.41 49.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -137.95 122.13 18.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' HA ' ' CZ2' ' A' ' 57' ' ' TRP . 12.6 p -47.73 155.01 0.84 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.79 6.97 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.92 ' HD2' HD21 ' A' ' 20' ' ' LEU . 30.9 mtp85 -109.13 -21.67 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.0 m -101.63 -31.05 11.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.797 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -153.9 126.26 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -78.36 150.21 33.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -106.17 75.71 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.473 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 4' ' ' GLY . 18.4 t -34.82 123.91 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -75.38 -49.59 18.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.98 -81.14 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -148.16 130.1 15.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.18 145.39 30.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 172.45 12.61 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.8 m -51.64 175.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.2 152.56 18.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.27 3.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.371 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -43.46 -54.65 4.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -138.97 156.75 72.4 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.648 0.737 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.27 69.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.2 p -98.99 147.32 25.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -127.72 -75.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t -54.99 161.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.727 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.8 mp -55.9 -30.51 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.4 m -49.92 -17.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 62.51 37.88 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -121.66 166.07 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -69.45 177.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.9 p -63.84 130.58 44.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 2.7 p90 -171.19 161.31 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.35 179.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.88 133.52 50.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.1 mtp -134.49 168.09 19.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.605 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -136.69 172.12 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.76 122.02 5.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.0 t -62.2 133.4 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.362 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.454 ' OD2' ' CZ ' ' A' ' 58' ' ' PHE . 11.4 t70 -67.0 -36.43 82.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -53.51 119.26 17.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.22 34.92 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.617 2.212 . . . . 0.0 112.322 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.97 -39.73 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 t -39.47 129.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.6 m -83.51 -43.67 15.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.02 -64.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 0.9 OUTLIER 58.42 37.99 25.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.3 m95 -165.72 123.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -145.34 151.88 39.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 47' ' ' VAL . 32.4 m80 -79.39 140.88 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' CE1' HG23 ' A' ' 30' ' ' ILE . 3.6 m-85 -52.61 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.33 -31.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.9 m -78.71 -49.29 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' ' 49' ' ' LEU . 30.6 m -83.19 35.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.17 46.97 0.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.6 ' HB2' HG23 ' A' ' 47' ' ' VAL . 11.4 mt -114.53 121.08 42.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 m -86.31 -30.75 22.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.5 p -142.23 169.08 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 31.3 tttm -74.77 111.78 14.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.493 0.663 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 52' ' ' LYS . 54.1 Cg_endo -69.73 130.8 20.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -78.71 145.35 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.92 -128.03 9.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -113.3 152.43 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.605 ' CE3' HG13 ' A' ' 30' ' ' ILE . 61.9 t90 -143.15 130.23 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CZ ' ' OD2' ' A' ' 33' ' ' ASP . 17.9 m-85 -109.1 123.05 48.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.563 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 14.7 p -52.72 154.03 5.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.741 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 7.15 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HD2' HD11 ' A' ' 20' ' ' LEU . 69.0 mtp180 -107.13 -19.93 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.2 m -97.85 -55.85 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -44.55 -43.61 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.479 ' CD ' ' O ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -73.86 62.03 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.74 142.6 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.3 m -77.31 100.5 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.67 -157.32 8.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -3.54 12.28 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.655 2.237 . . . . 0.0 112.321 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.0 t -45.52 97.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -113.44 155.7 24.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.538 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -119.96 111.56 18.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.822 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 m -119.37 171.44 8.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.38 170.39 17.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 p -111.63 167.44 10.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -96.42 -45.45 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.98 157.39 20.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' MET . 68.1 m-20 -115.72 92.11 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.343 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -34.35 130.43 0.44 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.55 0.691 . . . . 0.0 110.902 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -178.66 2.44 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.561 HG11 ' O ' ' A' ' 22' ' ' HIS . 29.6 m -64.82 176.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.1 150.21 54.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.51 14.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -86.87 -53.6 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.7 134.17 84.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 136.79 33.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.613 2.209 . . . . 0.0 112.353 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 p -122.36 124.96 44.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -104.98 -70.91 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 22.4 t -39.76 160.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.637 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.0 mp -62.43 -42.58 99.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -54.62 -12.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.561 ' O ' HG11 ' A' ' 11' ' ' VAL . 93.4 m-70 65.93 54.49 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -117.62 170.14 9.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.83 165.58 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -73.37 91.16 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.416 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 8.0 p90 -129.02 171.02 12.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.88 -178.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.13 138.13 57.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.355 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 73.9 mtp -136.09 164.93 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.509 ' CG1' ' CZ3' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -129.63 164.66 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.69 109.93 1.93 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.5 t -45.71 155.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.51 -35.04 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -51.36 124.48 23.92 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -19.0 36.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -82.46 -36.77 26.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.9 t -39.69 126.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 m -83.16 -43.63 15.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.639 HG22 ' H ' ' A' ' 41' ' ' TRP . 67.9 mt -70.97 -68.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 1.6 mt-10 62.89 35.43 13.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.639 ' H ' HG22 ' A' ' 39' ' ' ILE . 86.6 m95 -164.29 121.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 16.4 m-85 -145.54 157.68 43.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.88 ' O ' HG22 ' A' ' 47' ' ' VAL . 19.9 m80 -87.1 144.65 26.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.5 m-85 -56.84 -62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.17 -51.78 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.12 -55.14 30.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 43' ' ' HIS . 26.9 m -83.4 34.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.4 64.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -120.44 87.86 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 t -56.31 -32.86 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.6 p -152.68 156.71 39.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.38 122.18 8.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 130.79 20.09 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.404 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 54' ' ' ARG . 21.3 ttp-105 -74.96 147.36 40.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.55 177.16 6.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -47.76 136.68 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.535 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 70.9 t90 -124.93 126.92 46.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.25 123.61 50.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.535 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 12.6 p -48.68 153.91 1.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.2 2.34 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.628 ' HD2' HD21 ' A' ' 20' ' ' LEU . 9.0 mtp-105 -103.87 -21.11 13.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 88.0 m -98.27 -45.14 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 t -65.14 -13.38 57.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -94.96 49.71 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.02 -49.89 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 t -67.64 -46.16 73.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.51 -133.4 51.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 118.45 5.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -63.88 -62.33 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.6 m -89.34 -59.67 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.495 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -168.67 167.81 11.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -150.56 144.23 25.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.76 114.12 3.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -128.76 159.74 34.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.381 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.9 p -164.57 173.17 12.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . -170.57 -174.15 38.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.543 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' GLY . 25.5 t0 -35.07 145.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' ASP . 3.6 ptp -37.26 99.86 0.19 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.543 0.687 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 165.23 31.64 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.721 2.281 . . . . 0.0 112.304 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -75.86 175.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -170.78 151.8 3.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -28.94 24.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.399 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -44.34 -58.44 2.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -128.88 92.72 39.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.738 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 160.92 47.92 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 p -143.26 132.05 22.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.499 ' HB3' HG23 ' A' ' 39' ' ' ILE . 79.3 m-85 -119.27 -67.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 6.5 t -45.82 160.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.785 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.2 mp -55.84 -47.63 76.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 p -51.05 -16.59 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.6 m80 64.14 54.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -114.34 163.36 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m -80.71 156.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -44.37 101.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -143.65 153.96 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.67 -167.5 3.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.511 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 27.9 mt-10 -75.61 139.13 41.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 82.5 mtp -133.61 169.26 17.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.58 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -143.5 163.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.02 120.83 5.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.2 t -53.42 149.44 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.505 ' HB3' ' CE1' ' A' ' 58' ' ' PHE . 6.2 t70 -97.39 30.2 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -118.85 121.0 30.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.88 12.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.35 -21.38 15.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.97 127.17 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 t -78.89 -46.49 18.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.95 HD12 ' NH2' ' A' ' 61' ' ' ARG . 96.6 mt -72.4 -63.69 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 36.7 tt0 55.44 43.51 28.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 70.4 m95 -169.46 123.75 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 16.3 m-85 -145.03 178.52 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.3 m80 -107.97 141.18 40.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.7 m-85 -52.73 -64.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.32 -46.95 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.26 -52.07 66.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 43' ' ' HIS . 27.7 m -84.52 31.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.49 64.08 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 49' ' ' LEU . 12.0 mt -120.29 93.01 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.2 t -55.78 -39.87 71.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.0 p -145.0 165.84 27.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -54.17 118.06 14.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 124.06 10.71 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -75.69 152.44 37.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.12 -152.3 38.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 58' ' ' PHE . 5.7 ptpp? -87.59 126.6 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.58 ' CE3' HG13 ' A' ' 30' ' ' ILE . 92.5 t90 -109.13 134.96 51.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 33' ' ' ASP . 84.9 m-85 -122.3 124.09 42.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.575 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 14.0 p -48.43 153.85 1.25 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 5.18 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.95 ' NH2' HD12 ' A' ' 39' ' ' ILE . 38.2 mtm180 -104.37 -23.31 13.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.6 m -94.84 -46.81 6.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.9 t -60.09 -32.1 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -81.77 40.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 66' ' ' SER . 7.6 tp10 -98.96 154.77 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 3.4 m -41.28 -60.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.33 93.43 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 127.92 15.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -88.74 130.14 35.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -91.34 122.84 34.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.51 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 m -113.3 80.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.91 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 m -115.57 104.82 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.07 146.79 5.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -82.95 114.41 21.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -121.78 -45.52 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.31 70.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.39 103.56 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.9 ptp -41.35 152.18 0.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 101.96 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.391 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.7 m -56.31 178.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -172.7 157.35 3.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -22.12 32.75 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -56.62 -43.78 80.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.41 160.27 34.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.41 40.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.279 . . . . 0.0 112.361 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.1 p -116.74 157.53 25.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -131.3 -74.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 t -53.82 158.87 1.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.749 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.0 mp -52.15 -34.72 46.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.6 m -49.92 -20.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 62.33 47.84 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -124.7 178.3 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.2 m -75.28 166.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -66.31 98.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 4.9 p90 -135.78 168.41 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.66 176.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 28.3 mt-10 -59.67 135.05 57.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 61.4 mtp -137.28 162.11 34.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.62 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -132.94 172.55 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -120.18 102.04 0.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.544 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' GLY . 43.9 t -37.59 135.87 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.521 ' OD2' ' CZ ' ' A' ' 58' ' ' PHE . 35.1 t0 -62.24 -41.7 98.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -55.53 118.47 19.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -21.77 33.21 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.53 -36.1 52.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -42.8 112.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.6 p -61.76 -48.47 80.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 41' ' ' TRP . 81.4 mt -67.35 -62.6 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 35.9 tt0 49.38 41.69 21.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 82.5 m95 -167.81 124.23 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -143.64 176.66 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.606 ' O ' HG22 ' A' ' 47' ' ' VAL . 40.3 m80 -100.83 134.55 43.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 28' ' ' GLU . 3.8 m-85 -47.37 -64.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.06 -47.71 8.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.2 m -59.69 -53.7 54.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 43' ' ' HIS . 28.6 m -81.54 36.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 32.47 48.72 0.34 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.536 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.477 ' HB2' HG23 ' A' ' 47' ' ' VAL . 11.8 mt -111.73 88.99 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.5 m -56.5 -38.81 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 p -145.17 159.55 42.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -52.81 117.33 10.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.634 0.731 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.02 32.38 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -89.49 165.34 14.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.62 -143.41 13.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -89.34 170.76 10.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.586 ' CE3' HG13 ' A' ' 30' ' ' ILE . 65.8 t90 -148.86 127.53 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CZ ' ' OD2' ' A' ' 33' ' ' ASP . 58.4 m-85 -107.8 117.03 33.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 13.9 p -43.71 155.7 0.31 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.724 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.5 Cg_endo -69.76 3.8 2.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.636 2.224 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -103.9 -24.57 13.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.6 m -95.72 -43.53 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 64' ' ' GLN . 1.4 t -86.82 18.11 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -33.33 -46.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 36.5 tt0 -61.72 117.63 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m 41.52 43.52 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -110.47 -165.11 19.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 86.51 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.8 p -102.97 170.05 8.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -114.69 -50.68 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.449 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 t -113.02 92.93 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.0 m -98.84 145.29 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 141.62 32.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -149.42 123.93 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 t -160.77 160.65 31.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.57 83.53 0.52 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -82.92 129.16 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 30.6 mtt -123.05 126.1 26.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.691 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 179.01 3.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 2.228 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.2 m -100.49 165.41 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.63 156.75 10.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.847 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -17.97 37.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -44.25 -58.87 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -102.37 144.53 28.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 154.88 67.3 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.379 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 p -126.4 130.12 50.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -109.83 -69.91 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.1 t -44.65 165.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.0 mp -67.46 -40.23 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 p -52.68 -14.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.6 m80 65.46 52.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.85 164.41 16.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 m -77.87 162.06 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -52.75 121.06 6.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -170.81 158.71 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.19 179.05 1.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.14 132.86 55.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.7 mtp -137.67 168.89 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.569 HG13 ' CZ3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -139.32 167.29 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.0 100.37 0.93 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.8 t -38.16 134.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' A' ' 57' ' ' TRP . 1.7 m-20 -59.92 -39.13 84.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -60.8 117.65 27.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.85 30.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.8 m-20 -75.15 -41.65 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.6 t -36.16 124.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -69.46 -51.25 37.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLU . 41.2 mt -69.5 -54.02 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 3.3 pt-20 36.36 37.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 68.5 m95 -165.58 112.67 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -136.5 174.72 10.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.834 ' O ' HG22 ' A' ' 47' ' ' VAL . 21.3 m80 -102.37 141.31 35.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.3 m-85 -52.81 -64.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.18 -46.97 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.2 m -62.29 -51.97 65.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.834 HG22 ' O ' ' A' ' 43' ' ' HIS . 30.8 m -84.04 31.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.56 61.91 0.43 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -115.55 90.79 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 t -54.68 -32.76 59.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -147.85 174.76 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -76.85 122.98 87.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.4 Cg_endo -69.74 146.66 60.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -105.05 163.19 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.23 -87.96 0.69 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -146.42 142.63 28.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CZ3' HG13 ' A' ' 30' ' ' ILE . 87.8 t90 -135.11 116.44 14.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 33' ' ' ASP . 76.5 m-85 -104.42 117.54 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.6 p -42.44 153.95 0.29 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.667 0.746 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 4.49 2.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.244 . . . . 0.0 112.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HD2' HD11 ' A' ' 20' ' ' LEU . 22.7 mtp-105 -104.72 -22.57 13.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.1 m -95.47 -48.42 5.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -65.4 -47.04 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -100.64 75.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' SER . 12.6 tp10 -124.01 108.04 11.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' GLU . 45.0 t -34.58 103.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 68' ' ' PRO . . . 152.81 111.65 0.47 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.453 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 69' ' ' SER . 53.4 Cg_endo -69.78 5.44 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.303 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 68' ' ' PRO . 73.4 p -32.63 105.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 90.0 p -114.24 -177.61 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.506 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.2 p -129.73 160.12 34.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -105.31 -56.2 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.88 -164.64 21.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 p -142.45 146.37 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -59.42 140.51 56.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.92 -43.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.88 142.68 17.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.786 0.327 . . . . 0.0 110.832 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.2 mtp -103.56 136.0 19.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.703 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -174.08 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.727 2.284 . . . . 0.0 112.345 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.3 m -63.54 165.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.97 161.13 14.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.49 10.78 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.695 2.264 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.1 m120 -45.35 -50.57 12.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 30.1 mt-10 -102.33 96.73 7.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 54.0 Cg_endo -69.78 142.38 47.7 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 p -81.28 139.62 35.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -117.17 -73.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 7.6 t -41.71 162.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.643 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.9 mp -59.35 -46.55 88.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 16.1 p -52.12 -13.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 80.5 m-70 65.21 55.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -117.67 173.2 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 m -93.75 160.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -47.24 110.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -150.31 156.33 41.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.813 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.36 -145.42 27.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -94.02 132.59 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.5 mtp -136.98 155.42 49.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.565 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.44 166.51 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.54 106.6 1.6 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.53 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 t -43.08 147.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -82.8 -37.47 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -50.54 122.37 15.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -22.34 32.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -77.9 -38.19 46.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.0 t -39.46 133.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -90.09 -42.41 11.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.83 -63.89 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 2.4 mt-10 57.28 34.63 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 91.9 m95 -165.75 119.4 1.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 22.2 m-85 -145.67 141.86 28.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.579 ' O ' HG22 ' A' ' 47' ' ' VAL . 28.5 m80 -74.0 138.48 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 49' ' ' LEU . 4.5 m-85 -49.99 -66.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.88 -45.71 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.43 -51.16 71.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 43' ' ' HIS . 16.1 m -90.63 26.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.77 68.14 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 10.4 mt -112.74 91.72 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.9 m -59.63 -36.92 77.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -141.87 160.27 40.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.56 125.58 89.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 102.68 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.84 79.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.13 -165.83 26.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -59.17 136.36 57.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.313 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.567 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 86.4 t90 -141.03 115.0 9.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -98.17 110.03 22.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.567 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.0 p -40.17 154.6 0.19 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 9.05 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.642 ' HD2' HD21 ' A' ' 20' ' ' LEU . 46.8 mtp180 -110.02 -24.89 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.9 m -92.47 -44.18 8.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.6 t -71.51 -40.85 69.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -81.12 42.45 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -123.48 137.05 54.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 m 58.02 41.9 23.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.93 -141.77 3.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 109.27 2.28 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -154.61 169.96 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -97.07 -61.51 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.48 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -50.56 160.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -152.9 110.04 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.36 120.49 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 p -170.34 124.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -145.09 165.4 28.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.91 -117.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -88.94 105.28 17.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.4 tpp -68.07 131.96 92.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 156.1 64.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.8 m -87.75 175.67 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.95 148.48 15.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.575 0.702 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -37.17 9.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -58.01 -47.25 83.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 35.4 mt-10 -120.01 95.8 49.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.652 0.739 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 53.1 Cg_endo -69.76 147.06 62.03 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.439 HG22 ' C ' ' A' ' 23' ' ' GLN . 20.0 p -123.98 141.06 52.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.449 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 11.2 m-85 -118.95 -68.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 7.6 t -43.44 162.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.704 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.7 mp -59.7 -47.28 86.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' CG ' ' A' ' 23' ' ' GLN . 14.5 p -52.6 -13.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 38.4 m-70 64.2 55.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.439 ' C ' HG22 ' A' ' 17' ' ' THR . 4.4 mm100 -111.54 170.38 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.63 161.86 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -56.06 102.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.9 p90 -145.82 166.23 26.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.92 -179.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.457 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.09 140.73 58.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 59.6 mtp -136.77 156.52 48.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.609 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.13 167.16 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.22 105.67 1.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.536 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.9 t -45.93 158.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -98.29 -35.29 10.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 36' ' ' ASP . 33.3 t30 -47.22 124.04 8.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -18.56 36.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 1.5 m-20 -82.6 -38.18 23.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.438 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 2.0 t -39.16 134.29 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.7 m -93.2 -41.01 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 43.2 mt -70.65 -65.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.562 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 7.0 mm-40 67.5 28.42 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 96.5 m95 -165.17 131.45 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 17.6 m-85 -145.88 -179.42 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 30.8 m80 -110.41 123.87 50.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.0 m-85 -37.1 -70.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.37 -57.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.1 m -49.36 -52.47 28.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.4 m -83.54 25.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.61 59.8 2.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 49' ' ' LEU . 8.1 mt -113.94 82.8 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 51' ' ' THR . 8.8 t -47.82 -40.65 21.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.417 ' N ' HG23 ' A' ' 50' ' ' THR . 40.9 p -141.14 167.98 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -59.98 128.6 87.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 116.03 4.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -67.92 146.02 54.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.47 -115.44 5.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -108.43 164.7 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.566 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 70.4 t90 -152.32 132.55 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.7 118.99 33.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.5 p -45.44 155.23 0.46 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.77 3.98 2.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 9.6 mtm105 -104.64 -21.51 13.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.9 m -100.04 -38.31 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 64' ' ' GLN . 1.1 t -85.96 23.49 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 63' ' ' SER . 18.6 pt20 -33.21 -42.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -87.08 82.68 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -169.71 124.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.29 157.93 18.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -33.96 15.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.265 . . . . 0.0 112.384 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 m -60.07 120.37 9.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.9 t -94.97 -58.09 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.522 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 m 52.86 41.83 31.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 m -106.46 176.31 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.29 146.68 18.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.534 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 6' ' ' SER . 80.5 p -75.01 82.53 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.829 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 5' ' ' SER . 67.4 m 34.36 43.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.65 66.04 2.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -100.46 61.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.5 mtt -150.07 161.69 30.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 11' ' ' VAL . 53.7 Cg_endo -69.72 172.48 12.52 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 10' ' ' PRO . 32.1 m -33.96 146.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -173.33 151.61 2.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 2.84 3.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.262 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -79.28 -62.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -71.21 138.33 84.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 141.35 45.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.484 HG22 ' C ' ' A' ' 23' ' ' GLN . 7.9 p -108.88 127.34 53.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -108.65 -70.6 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 13.7 t -40.25 160.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.778 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.8 mp -60.63 -44.3 96.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 p -53.23 -13.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.3 m80 63.58 54.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' C ' HG22 ' A' ' 17' ' ' THR . 4.8 mm100 -111.85 173.18 6.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.43 157.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -48.44 109.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -159.82 161.79 34.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.48 -176.59 0.63 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.28 134.65 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 84.8 mtp -139.0 164.56 29.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.586 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -136.98 167.39 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -116.06 101.02 0.97 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' GLY . 17.9 t -34.79 136.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.589 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -64.12 -39.83 94.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -55.47 120.56 32.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.86 29.23 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' CYS . 5.0 t70 -75.01 -39.68 61.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ASP . 5.5 t -37.36 114.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.2 m -66.12 -44.94 82.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 41' ' ' TRP . 58.6 mt -71.65 -61.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.588 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 55.5 tt0 46.72 44.67 14.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 73.4 m95 -169.52 117.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -143.46 157.97 44.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.432 ' O ' HG22 ' A' ' 47' ' ' VAL . 34.5 m80 -88.54 134.39 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.8 m-85 -45.82 -69.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.59 -49.44 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.1 m -53.7 -50.59 65.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG23 ' HG ' ' A' ' 49' ' ' LEU . 34.0 m -93.04 34.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.13 70.98 0.14 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.449 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.564 ' HG ' HG23 ' A' ' 47' ' ' VAL . 9.6 mt -116.62 94.41 4.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.4 m -58.91 -36.69 75.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 p -150.8 168.91 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -65.81 117.0 37.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.6 Cg_endo -69.76 96.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.737 2.292 . . . . 0.0 112.314 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -58.29 158.33 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.65 -96.34 1.76 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -137.63 160.1 40.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.503 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.1 t90 -155.69 115.01 3.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 33' ' ' ASP . 78.5 m-85 -106.55 121.79 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.1 p -47.76 154.53 0.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 6.52 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -107.99 -20.25 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.0 m -101.79 -35.54 9.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -83.17 20.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -111.94 76.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -123.23 122.18 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.9 m -80.66 150.14 29.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 69' ' ' SER . . . -129.95 169.52 20.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 69' ' ' SER . 54.1 Cg_endo -69.77 13.18 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.252 . . . . 0.0 112.369 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.508 ' C ' ' O ' ' A' ' 68' ' ' PRO . 22.8 t -28.91 127.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.1 m -70.59 113.98 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.079 -0.845 . . . . 0.0 112.53 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -81.75 157.02 24.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -77.75 103.33 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.46 121.06 5.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 m -114.46 150.0 35.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -91.93 132.64 36.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.799 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.62 106.16 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.97 112.89 17.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -71.18 131.6 86.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -175.51 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.0 m -51.04 163.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.72 143.54 3.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.609 0.719 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -20.33 34.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.621 2.214 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -40.89 -52.27 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -95.49 143.77 26.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 170.53 16.31 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' C ' ' A' ' 23' ' ' GLN . 21.4 p -131.1 121.61 25.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.512 ' HB3' HG23 ' A' ' 39' ' ' ILE . 10.6 m-85 -102.04 -68.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 21.3 t -40.8 159.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.692 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.9 mp -62.02 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 23' ' ' GLN . 15.0 p -52.62 -14.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.3 m80 66.74 54.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.524 ' C ' HG22 ' A' ' 17' ' ' THR . 9.4 mm-40 -114.22 166.4 11.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 m -80.53 160.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -53.79 102.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -147.48 164.0 34.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 178.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.95 128.11 34.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.4 mtp -132.3 160.89 34.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.63 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -126.66 169.1 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.59 99.3 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.1 t -39.87 132.1 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.32 -38.73 88.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.531 ' ND2' ' OD2' ' A' ' 36' ' ' ASP . 10.8 t30 -50.36 119.73 11.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 -32.01 19.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.531 ' OD2' ' ND2' ' A' ' 34' ' ' ASN . 3.7 p-10 -68.38 -41.27 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 34' ' ' ASN . 6.7 t -34.75 137.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 m -88.37 -45.5 9.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.583 HG22 ' H ' ' A' ' 41' ' ' TRP . 60.4 mt -67.98 -65.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.566 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 4.3 mt-10 60.97 30.88 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.583 ' H ' HG22 ' A' ' 39' ' ' ILE . 91.0 m95 -166.64 128.23 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 39.6 m-85 -145.76 178.43 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' O ' HG22 ' A' ' 47' ' ' VAL . 47.7 m80 -109.09 128.04 54.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.452 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.2 m-85 -42.08 -39.44 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.39 -56.39 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.22 -47.82 54.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.617 HG21 HD12 ' A' ' 49' ' ' LEU . 23.2 m -75.72 -41.94 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 47' ' ' VAL . . . 103.66 34.11 3.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.617 HD12 HG21 ' A' ' 47' ' ' VAL . 26.1 mt -91.48 104.15 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 t -59.23 -37.14 76.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -147.02 148.67 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -43.65 117.17 2.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.488 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 54.0 Cg_endo -69.78 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -59.89 162.55 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.5 -122.08 10.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -108.64 143.25 37.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.595 ' CE2' HD11 ' A' ' 49' ' ' LEU . 89.7 t90 -140.66 133.65 29.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -120.88 125.4 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.5 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.1 p -50.55 154.93 2.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.3 Cg_endo -69.73 10.26 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.385 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 59' ' ' CYS . 12.5 mtp-105 -109.96 -27.8 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 78.3 m -91.78 -45.52 8.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t -53.38 -47.41 69.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -108.12 75.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -62.24 158.58 16.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -41.23 -42.73 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.63 174.99 43.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 163.96 36.3 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 p -111.33 150.49 29.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -73.79 -60.08 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.455 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -157.53 105.35 2.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -123.68 122.79 39.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.3 108.52 0.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 t -130.39 138.59 50.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -141.4 123.77 15.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.9 118.84 5.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.88 159.34 16.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.4 ttt -152.92 131.19 6.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.644 0.735 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.67 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.6 m -55.41 162.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.18 159.86 12.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.837 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 2.86 3.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.24 . . . . 0.0 112.307 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.7 -53.45 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -130.18 158.47 74.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.729 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.15 52.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' C ' ' A' ' 23' ' ' GLN . 24.3 p -106.3 133.98 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' CYS . 68.5 m-85 -116.91 -68.57 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 13.4 t -39.73 161.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.584 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.2 mp -59.3 -43.75 92.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.8 p -56.66 -11.75 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 63.45 54.39 1.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' C ' HG22 ' A' ' 17' ' ' THR . 4.8 mm100 -111.61 165.35 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.2 m -81.24 160.26 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 t -52.3 101.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.3 p90 -147.44 167.67 23.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.48 -173.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -68.44 133.99 49.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.7 mtp -138.12 167.61 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.587 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -138.26 168.75 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.087 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.36 100.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.516 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.5 t -40.35 136.18 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.23 -41.55 99.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -52.64 118.82 13.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -26.6 27.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.5 m-20 -74.6 -41.33 60.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.7 t -37.12 119.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.4 p -69.95 -46.25 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.638 HG22 ' H ' ' A' ' 41' ' ' TRP . 29.6 mt -72.37 -54.02 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 4.0 pt-20 35.62 37.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.638 ' H ' HG22 ' A' ' 39' ' ' ILE . 72.9 m95 -164.76 115.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -136.3 177.92 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.538 ' O ' HG22 ' A' ' 47' ' ' VAL . 53.2 m80 -106.66 134.52 49.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 6.7 m-85 -48.09 -42.63 29.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.12 -46.34 77.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.2 -50.05 75.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 43' ' ' HIS . 28.8 m -74.01 -30.06 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.51 33.41 7.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.4 119.65 25.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.8 m -72.69 -43.48 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.5 p -142.43 152.4 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -46.34 121.28 6.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.515 0.674 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 146.58 60.83 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.651 2.234 . . . . 0.0 112.369 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -102.24 173.57 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.41 -109.33 1.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.59 130.24 50.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.587 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.4 t90 -117.27 117.03 28.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -102.63 122.14 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.547 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 16.5 p -49.0 154.06 1.38 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.02 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HD2' HD11 ' A' ' 20' ' ' LEU . 18.6 mtp-105 -105.85 -28.35 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.4 m -89.22 -44.74 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -59.57 -42.0 91.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -91.66 39.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' SER . 5.7 pt-20 -81.46 42.13 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 69' ' ' SER . 69.3 m -34.5 151.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.6 -116.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.55 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.734 2.289 . . . . 0.0 112.376 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.472 ' HB3' ' CB ' ' A' ' 66' ' ' SER . 23.0 t -66.74 97.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.3 t -55.6 148.28 16.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.472 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -149.41 143.31 25.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.82 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -134.96 110.53 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.76 138.44 4.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -88.84 97.01 10.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.878 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -117.47 105.13 11.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.27 -114.45 3.22 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -99.54 120.87 40.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.455 ' C ' ' H ' ' A' ' 11' ' ' VAL . 19.7 mtt -111.96 150.56 42.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.529 0.68 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.504 ' O ' ' C ' ' A' ' 11' ' ' VAL . 53.9 Cg_endo -69.78 16.13 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' A' ' 10' ' ' PRO . 27.5 m -28.69 135.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -139.43 162.14 53.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.5 36.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.252 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.94 -55.76 24.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.787 ' HB2' HG11 ' A' ' 24' ' ' VAL . 47.6 mm-40 -49.93 156.18 1.36 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 134.42 27.86 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.7 p -94.86 147.86 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.417 ' HB3' HG23 ' A' ' 39' ' ' ILE . 30.7 m-85 -128.18 -68.1 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 36.6 t -41.34 162.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.641 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.1 mp -62.27 -36.68 82.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -63.86 -4.84 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 64.04 54.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -121.16 165.19 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.787 HG11 ' HB2' ' A' ' 15' ' ' GLU . 4.3 m -93.19 174.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 p -51.3 124.12 11.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -170.25 138.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.58 -151.64 52.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.422 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -86.08 131.55 34.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.3 mtp -136.94 164.8 27.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.611 HD11 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -138.21 169.68 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.75 108.59 1.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 14.5 t -43.27 136.83 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.79 -36.3 75.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -52.49 123.46 29.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.589 0.709 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -21.34 33.69 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' CYS . 36.0 t0 -79.86 -36.86 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.0 t -37.65 110.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.9 m -66.83 -43.47 83.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.466 HD12 ' NH2' ' A' ' 61' ' ' ARG . 94.7 mt -77.01 -65.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.535 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 35.2 tt0 58.23 45.17 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.535 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 76.5 m95 -167.93 123.39 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 14.2 m-85 -145.51 167.89 21.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -99.61 132.91 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.459 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.6 m-85 -45.56 -58.03 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.5 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.3 m -72.82 -37.74 67.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.567 ' CG2' HD12 ' A' ' 49' ' ' LEU . 30.7 m -100.1 29.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.35 68.43 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD12 ' CG2' ' A' ' 47' ' ' VAL . 11.8 mt -120.93 96.28 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.3 p -57.07 -36.03 70.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 t -147.92 172.14 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -67.74 118.15 54.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.702 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 135.74 31.2 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.724 2.282 . . . . 0.0 112.279 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 1.6 tmm_? -88.0 149.71 23.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 54' ' ' ARG . . . 84.49 -117.57 4.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -116.73 165.69 12.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.611 ' CH2' HD11 ' A' ' 30' ' ' ILE . 77.7 t90 -147.75 121.07 8.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -104.24 104.79 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -38.73 154.29 0.15 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.722 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 4.11 2.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' HD3' HD21 ' A' ' 20' ' ' LEU . 16.7 mtm105 -105.15 -20.11 13.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.7 m -94.94 -54.3 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t -51.87 -51.07 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.29 -49.49 75.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.93 103.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.6 p -57.46 153.22 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.11 97.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 122.38 9.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.5 t -80.31 113.73 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 p -114.09 168.07 10.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.491 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -143.5 122.3 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.8 p -91.87 171.0 9.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.87 141.01 7.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 p -165.21 165.9 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.396 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -108.57 126.37 52.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.39 145.06 9.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 8.7 p-10 -72.27 95.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.331 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.46 161.23 53.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.564 0.697 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 156.48 63.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -43.37 167.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.13 155.89 28.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.628 0.728 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 1.54 4.38 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.401 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -60.21 -46.02 91.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 14' ' ' ASN . 41.3 mm-40 -137.06 143.17 41.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 140.38 42.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -100.45 131.55 46.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.6 ' HB3' HG23 ' A' ' 39' ' ' ILE . 45.4 m-85 -113.44 -67.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 12.1 t -41.94 162.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.609 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.6 mp -60.65 -44.98 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 20.6 p -54.46 -11.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 69.7 m-70 63.8 54.22 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -112.76 166.32 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.9 162.5 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t -56.03 101.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.1 p90 -152.56 161.37 42.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.5 -178.04 1.69 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.96 129.51 40.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.6 mtp -134.82 166.6 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.577 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -138.04 162.76 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -114.43 98.3 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' GLY . 12.2 t -36.15 146.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.75 -36.51 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.64 120.7 55.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -30.27 22.29 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' CYS . 83.6 m-20 -69.88 -40.02 75.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' ASP . 8.2 t -32.84 120.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -62.26 -51.77 66.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.695 HG22 ' H ' ' A' ' 41' ' ' TRP . 54.9 mt -73.42 -69.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.604 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 10.6 tm-20 66.08 28.3 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.695 ' H ' HG22 ' A' ' 39' ' ' ILE . 57.0 m95 -165.46 118.67 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.04 176.05 9.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 47' ' ' VAL . 37.4 m80 -101.72 148.54 25.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.9 m-85 -58.74 -66.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.64 -42.51 7.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.9 m -65.09 -45.86 83.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 43' ' ' HIS . 22.1 m -92.71 34.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.85 65.39 0.39 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' HG ' HG23 ' A' ' 47' ' ' VAL . 11.3 mt -122.58 88.84 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 p -51.26 -39.94 57.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.4 t -144.88 168.8 19.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -66.67 117.02 40.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.416 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.5 Cg_endo -69.81 104.35 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -64.17 102.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . 124.32 168.27 12.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' GLY . 29.3 mttm -36.51 140.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.577 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.3 t90 -139.32 125.62 20.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -116.35 119.64 36.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.522 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.5 p -46.17 155.19 0.55 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.447 ' O ' ' CG ' ' A' ' 64' ' ' GLN . 54.2 Cg_endo -69.8 12.03 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 61' ' ' ARG . 14.0 mtp-105 -112.3 -28.59 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.5 m -90.69 -48.41 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 t -56.53 -60.54 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.472 ' CD ' ' O ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -79.34 54.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -121.43 -45.12 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t -125.28 160.71 28.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.11 -149.97 26.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 92.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -61.71 146.97 47.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.4 m -72.5 160.67 31.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m -102.76 175.82 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -85.55 -57.89 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.23 -118.8 0.51 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -129.66 99.63 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -151.31 139.72 20.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.5 -101.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.437 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -128.61 81.34 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.482 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -74.2 -62.0 1.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 9' ' ' MET . 54.1 Cg_endo -69.78 120.73 7.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' CG ' ' A' ' 12' ' ' ASP . 34.5 m -90.17 171.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 11' ' ' VAL . 4.7 m-20 -174.5 158.06 2.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -19.91 35.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -41.48 -52.87 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -115.37 127.7 26.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.05 49.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 p -103.55 132.67 49.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.542 ' HB3' HG23 ' A' ' 39' ' ' ILE . 5.4 m-85 -113.49 -67.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.9 t -44.8 164.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 5.1 mp -65.48 -38.92 91.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.4 p -55.58 -12.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 63.28 47.01 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -114.0 168.82 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 m -75.42 164.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 t -57.2 125.07 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.7 p90 -169.06 162.8 11.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.09 175.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -62.32 137.74 58.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.8 mtp -134.16 167.08 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.613 HD11 ' CH2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -134.72 165.58 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.21 105.17 1.72 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.8 t -43.57 133.69 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -35.93 82.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -56.65 117.73 18.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -25.38 28.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' CYS . 66.0 m-20 -75.08 -39.13 60.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ASP . 7.2 t -36.52 151.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 m -104.2 -42.91 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 18' ' ' TYR . 80.3 mt -70.59 -51.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 1.4 mt-10 40.63 37.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 84.7 m95 -166.85 122.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 29.0 m-85 -145.92 179.97 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.559 ' O ' HG22 ' A' ' 47' ' ' VAL . 23.9 m80 -108.87 132.24 54.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.8 m-85 -43.47 -68.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.66 -52.59 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.4 m -54.61 -53.42 54.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 43' ' ' HIS . 34.6 m -83.18 31.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.64 60.48 0.51 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 49' ' ' LEU . 8.8 mt -115.13 83.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.883 0.373 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 m -46.07 -40.85 11.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.5 p -145.23 162.86 36.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -51.17 121.25 15.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.52 51.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -91.83 179.45 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.78 -125.75 9.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' HD2' ' CZ ' ' A' ' 58' ' ' PHE . 17.3 pttm -106.51 138.31 42.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.613 ' CH2' HD11 ' A' ' 30' ' ' ILE . 85.2 t90 -124.52 119.65 29.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.426 ' CZ ' ' HD2' ' A' ' 56' ' ' LYS . 90.4 m-85 -105.34 119.84 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 12.2 p -47.97 154.48 0.99 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.25 6.66 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.282 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.474 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 14.4 mmm180 -98.01 -22.86 16.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.8 m -95.36 -55.26 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -45.43 -35.5 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -81.28 41.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -99.83 -40.02 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.1 t -99.04 145.37 27.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.817 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -50.72 162.8 1.03 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.36 17.43 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.6 m -96.67 165.74 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.3 p -113.67 126.44 55.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.487 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.3 p -129.89 126.64 38.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.909 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p -152.32 120.58 6.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.78 144.51 44.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -106.21 82.83 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 110.815 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -64.42 155.28 33.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.43 -160.42 23.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.42 102.05 6.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.21 140.27 28.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.535 0.684 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -174.84 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.734 2.289 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.7 m -52.06 170.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' OD1' ' OE1' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -165.78 159.55 13.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 110.866 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.96 35.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -66.86 -39.26 87.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HB3' HG12 ' A' ' 24' ' ' VAL . 5.7 mt-10 -45.06 134.67 5.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 127.07 14.06 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 p -117.52 133.86 55.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -115.74 -70.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 12.8 t -40.78 161.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.603 HD21 ' HD2' ' A' ' 61' ' ' ARG . 5.6 mp -60.4 -45.2 94.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 p -54.36 -13.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 40.5 m80 65.96 55.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -115.21 175.48 5.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.43 HG12 ' HB3' ' A' ' 15' ' ' GLU . 14.1 m -88.2 165.55 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -57.99 100.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.4 p90 -145.33 166.12 26.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.41 -176.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.496 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 68.1 mm-40 -64.72 131.86 48.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.5 mtp -132.87 169.5 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.502 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -141.15 161.63 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -112.81 99.5 1.03 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' GLY . 19.4 t -36.02 146.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.606 ' OD1' ' CD1' ' A' ' 58' ' ' PHE . 1.1 p30 -73.44 -45.65 53.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -49.91 123.1 14.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -29.74 23.27 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' CYS . 26.6 t0 -70.89 -41.9 70.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.9 t -34.99 111.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 t -66.26 -42.55 88.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' ' 41' ' ' TRP . 64.6 mt -70.21 -65.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.569 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 30.9 tt0 48.12 40.93 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 71.6 m95 -169.37 119.3 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -142.16 176.91 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -107.95 130.73 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CD1' ' HB3' ' A' ' 28' ' ' GLU . 5.4 m-85 -42.64 -65.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.08 -39.16 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 m -68.6 -38.74 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.8 m -99.08 27.87 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 37.81 65.59 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.0 mt -119.83 98.9 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.5 p -59.19 -40.14 84.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 m -145.2 156.8 44.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -54.19 121.78 32.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.0 43.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -99.69 110.39 22.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.45 -167.25 12.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 58' ' ' PHE . 23.0 pttp -67.42 125.63 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.719 0.295 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.502 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.4 t90 -120.27 109.61 15.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CD1' ' OD1' ' A' ' 33' ' ' ASP . 76.1 m-85 -94.14 103.85 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 61' ' ' ARG . 12.7 p -36.72 153.98 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.651 0.739 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 13.87 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.603 ' HD2' HD21 ' A' ' 20' ' ' LEU . 13.8 mtp-105 -117.15 -22.49 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.7 m -96.16 -34.24 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.485 ' O ' ' C ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -83.65 33.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.813 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 63' ' ' SER . 15.4 mp0 -30.63 -60.19 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -48.18 112.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -128.57 84.88 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -109.63 -176.5 21.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.81 7.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.5 m -38.76 130.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.81 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.9 m 60.88 41.78 13.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.513 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -53.96 141.7 27.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.36 . . . . 0.0 110.821 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 m -143.64 109.9 5.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.54 -171.81 8.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -85.9 116.65 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -115.81 99.64 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.48 -174.87 22.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -128.73 103.12 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 mtt -127.09 118.02 21.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -165.99 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.7 2.267 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.98 157.43 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.25 146.34 19.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.739 . . . . 0.0 110.847 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 15' ' ' GLU . 54.0 Cg_endo -69.72 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' PRO . 28.1 m-20 35.23 31.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' PRO . 4.7 mm-40 -148.13 144.23 18.59 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.621 0.724 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 149.74 67.23 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -116.4 139.01 50.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.477 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 73.9 m-85 -122.71 -57.73 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' CB ' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t -55.12 160.12 2.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.587 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.9 mp -62.54 -36.53 82.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -60.97 -8.49 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 63.79 55.0 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -121.82 168.85 11.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.9 169.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 m -73.03 95.32 2.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -127.77 172.05 11.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.57 -171.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -69.67 135.04 49.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 59.4 mtp -138.4 155.66 48.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.557 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -120.97 168.49 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.44 109.83 1.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.8 t -45.59 156.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -97.38 -29.79 13.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -53.92 124.19 42.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -21.41 33.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.16 -32.23 33.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.2 t -40.5 138.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 p -96.66 -40.39 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 39.3 mt -78.78 -62.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 2.7 mt-10 60.61 37.78 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 84.6 m95 -167.27 121.1 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -145.43 165.24 29.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.854 ' O ' HG22 ' A' ' 47' ' ' VAL . 25.8 m80 -93.81 138.91 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.811 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.1 m-85 -50.21 -52.73 33.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.11 -57.46 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.66 -41.83 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.854 HG22 ' O ' ' A' ' 43' ' ' HIS . 30.8 m -97.27 27.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.42 70.63 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.98 99.47 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 t -62.88 -24.28 67.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.2 t -157.27 168.65 26.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -63.95 124.69 85.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 101.07 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -65.72 149.77 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.96 -116.7 4.52 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -110.93 153.93 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 88.7 t90 -146.53 120.22 9.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -104.63 106.52 17.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.552 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.7 p -38.48 154.49 0.14 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 3.47 2.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -104.4 -21.16 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.2 m -95.04 -46.33 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.5 t -62.16 -37.84 86.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.55 -51.61 62.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -86.01 96.78 9.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -151.72 177.37 10.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.15 134.38 14.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.457 ' HG2' ' C ' ' A' ' 71' ' ' GLY . 53.7 Cg_endo -69.7 -176.62 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.5 m -65.61 -41.04 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.4 p -113.91 40.96 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' C ' ' HG2' ' A' ' 68' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -146.21 126.64 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.389 . . . . 0.0 110.88 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -115.29 173.86 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.78 97.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -170.8 132.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -160.34 157.97 28.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.3 -126.78 5.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -147.22 169.18 19.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.2 ptm -40.57 144.96 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.597 0.713 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.29 20.96 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.325 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 11' ' ' VAL . 17.6 m -60.08 105.32 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -40.43 146.81 0.41 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -5.72 16.86 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -70.0 -51.07 35.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -97.27 120.95 60.05 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.652 0.739 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 145.74 57.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.26 . . . . 0.0 112.344 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 p -84.25 131.9 34.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -108.42 -71.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 41.0 t -44.59 162.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.778 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.8 mp -64.7 -35.87 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 30.6 p -62.27 -5.44 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 82.3 m-70 64.12 55.05 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -127.23 164.74 21.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -94.97 168.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 t -63.54 108.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -126.0 -19.49 4.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -140.8 -155.96 6.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -65.1 131.79 47.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.357 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.7 mtp -137.59 166.5 23.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.596 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.06 163.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.98 101.03 1.02 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 29.7 t -38.5 127.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' HB3' ' CE2' ' A' ' 58' ' ' PHE . 13.4 t70 -56.81 -37.59 71.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -56.33 119.34 27.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.26 32.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -77.53 -35.85 52.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -40.21 114.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -66.28 -46.46 76.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.8 mt -72.32 -63.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.551 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 30.5 tt0 52.4 44.18 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 78.3 m95 -168.02 122.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 10.9 m-85 -145.53 166.4 25.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.523 ' O ' HG22 ' A' ' 47' ' ' VAL . 53.3 m80 -96.0 128.24 42.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.3 m-85 -38.54 -64.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.44 -58.1 4.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.6 m -45.48 -54.58 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.654 HG21 HD12 ' A' ' 49' ' ' LEU . 27.3 m -83.91 29.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.26 58.03 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.654 HD12 HG21 ' A' ' 47' ' ' VAL . 11.1 mt -113.51 -45.67 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.961 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.5 p 38.27 27.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' LEU . 8.1 m -165.96 162.23 17.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 51' ' ' THR . 33.2 tttt -97.67 104.78 22.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 86.88 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.5 136.45 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.53 -88.06 0.49 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -155.28 134.83 12.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.337 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.613 ' NE1' HD11 ' A' ' 49' ' ' LEU . 81.8 t90 -129.6 147.66 51.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.406 ' CE2' ' HB3' ' A' ' 33' ' ' ASP . 48.9 m-85 -132.54 125.33 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 13.9 p -50.94 154.57 2.43 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 6.7 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.272 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 -106.6 -24.63 12.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -95.49 -49.77 5.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.1 t -54.66 -57.45 11.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 65.13 41.6 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -105.98 160.19 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.9 t -58.39 124.95 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.5 -116.0 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 91.73 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 t -55.0 133.14 48.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m 44.09 48.36 7.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.485 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -45.93 -48.8 16.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t 60.6 42.15 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.96 -163.63 21.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 t -117.61 160.83 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.804 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -122.61 134.58 54.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.44 121.5 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.45 118.25 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.5 tpt -51.35 113.78 4.3 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.535 0.683 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 177.92 5.06 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.406 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.53 171.91 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HB3' ' ND2' ' A' ' 14' ' ' ASN . 8.2 m-20 -171.08 151.72 3.27 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -40.06 5.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 3.7 p30 -42.67 -55.28 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' OE2' HG11 ' A' ' 24' ' ' VAL . 11.0 mt-10 -115.97 107.68 47.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 53.7 Cg_endo -69.76 141.67 45.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 23' ' ' GLN . 17.2 p -108.23 130.95 55.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.475 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 4.8 m-85 -111.45 -70.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.2 t -40.94 162.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.679 HD21 ' HD2' ' A' ' 61' ' ' ARG . 5.0 mp -64.57 -36.31 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -57.73 -11.86 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.0 m80 62.68 46.15 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.6 ' O ' HG22 ' A' ' 17' ' ' THR . 26.9 mt-30 -108.87 -176.04 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.455 HG11 ' OE2' ' A' ' 15' ' ' GLU . 10.8 m -92.94 165.57 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 t -62.06 116.83 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 p90 -163.06 167.86 21.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.71 -179.37 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -63.35 133.71 54.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 82.6 mtp -138.35 166.57 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.533 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -136.42 172.16 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -124.08 104.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.2 t -39.0 153.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -107.13 32.09 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -118.34 128.57 25.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -19.06 36.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -84.65 -25.14 28.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 t -55.37 128.32 33.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -84.43 -44.83 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 22.8 mt -78.29 -60.26 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.589 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 33.4 tt0 58.82 41.79 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 68.9 m95 -168.91 124.5 0.91 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -144.85 179.89 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.833 ' O ' HG22 ' A' ' 47' ' ' VAL . 58.5 m80 -106.38 145.71 31.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.02 -42.5 76.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.14 52.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -53.57 -50.05 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 43' ' ' HIS . 30.2 m -74.73 -35.25 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.17 33.58 5.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.904 HD11 ' NE1' ' A' ' 57' ' ' TRP . 19.4 mt -94.45 104.26 16.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.9 p -58.82 -45.47 89.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -137.39 140.65 41.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -39.07 124.33 1.27 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.9 Cg_endo -69.7 156.5 63.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.254 . . . . 0.0 112.369 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 55' ' ' GLY . 26.6 ttp180 -115.59 159.29 21.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 54' ' ' ARG . . . 73.9 -95.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -135.24 136.91 42.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.904 ' NE1' HD11 ' A' ' 49' ' ' LEU . 88.3 t90 -132.04 115.71 16.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -104.38 116.92 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.541 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.5 p -43.98 154.54 0.37 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.679 ' HD2' HD21 ' A' ' 20' ' ' LEU . 29.1 mtp180 -103.95 -22.7 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.0 m -98.69 -44.54 6.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 64' ' ' GLN . 1.3 t -82.85 18.19 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' A' ' 63' ' ' SER . 2.6 mp0 31.03 51.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -92.47 26.85 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.6 m -141.03 109.23 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.421 ' HA2' ' HD2' ' A' ' 68' ' ' PRO . . . -153.77 99.66 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.421 ' HD2' ' HA2' ' A' ' 67' ' ' GLY . 53.8 Cg_endo -69.69 -170.64 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.7 p -125.16 136.99 54.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 m -82.59 92.13 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.491 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -80.4 139.28 36.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.815 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -118.25 151.89 36.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.14 131.8 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.3 p -92.21 114.66 27.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 p -82.45 -43.02 17.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.27 -146.94 7.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -97.63 127.36 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 ptp -43.89 123.87 4.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 151.4 68.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.7 m -129.94 173.77 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -171.0 153.75 3.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -19.57 36.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -85.93 -57.01 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -45.87 104.48 0.4 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 116.3 4.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.3 p -107.81 140.97 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.448 ' HB3' HG23 ' A' ' 39' ' ' ILE . 78.3 m-85 -123.64 -62.25 1.32 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 9.8 t -52.15 157.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.706 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.1 mp -54.85 -45.07 74.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 p -53.55 -14.16 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 63.03 54.92 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -116.45 163.45 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 m -79.48 162.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -52.58 116.14 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.534 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -161.0 156.36 24.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.94 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.21 -161.76 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 2.4 mp0 -80.24 138.03 36.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mtp -137.41 166.88 22.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.5 168.53 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -116.06 94.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' GLY . 14.1 t -34.75 141.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -76.18 -40.58 52.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -48.46 119.96 8.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -14.52 36.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -85.05 -34.49 22.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -46.75 108.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -64.23 -43.84 93.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.474 HD12 ' NH1' ' A' ' 61' ' ' ARG . 58.8 mt -70.33 -61.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.574 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 33.4 tt0 53.35 41.73 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.574 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 75.3 m95 -168.72 120.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -142.28 172.84 12.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 47' ' ' VAL . 35.8 m80 -101.19 138.29 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.0 m-85 -50.5 -65.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.33 -49.32 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.64 -49.72 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 43' ' ' HIS . 21.6 m -93.64 32.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 32.68 69.84 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.472 ' HG ' HG23 ' A' ' 47' ' ' VAL . 14.3 mt -116.28 90.15 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -57.0 -35.15 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 m -150.17 144.93 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.35 120.09 11.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.573 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.5 Cg_endo -69.73 125.5 12.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 11.3 mtm105 -77.27 148.2 35.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.34 -126.04 7.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -101.04 151.05 22.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.326 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.573 ' CD1' ' HG3' ' A' ' 53' ' ' PRO . 78.1 t90 -146.93 116.3 7.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.28 106.54 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.542 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 21.3 p -38.6 154.8 0.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.78 5.68 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.474 ' NH1' HD12 ' A' ' 39' ' ' ILE . 1.9 ttt-85 -104.14 -31.05 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.6 m -83.22 -54.29 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 t -51.97 -39.29 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -92.51 41.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -107.78 127.6 53.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.6 t -46.66 -47.54 20.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.07 -164.18 37.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -174.57 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.228 . . . . 0.0 112.306 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -68.03 93.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.1 t -69.0 -56.66 7.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.913 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.516 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -131.53 116.14 17.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -141.47 124.18 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.22 -120.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -71.36 155.39 40.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.907 0.384 . . . . 0.0 110.82 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -90.41 85.55 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.15 152.02 8.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.8 134.93 34.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.324 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.5 ptm -108.75 131.62 21.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 179.87 3.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.665 2.244 . . . . 0.0 112.393 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m -91.65 173.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -172.63 158.43 3.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.72 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -47.91 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.622 2.215 . . . . 0.0 112.359 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.67 -58.53 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 2.0 mp0 -126.98 94.89 38.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 53.9 Cg_endo -69.78 140.09 41.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -93.6 133.36 37.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.606 ' HB3' HG23 ' A' ' 39' ' ' ILE . 4.2 m-85 -115.02 -64.82 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.1 t -47.07 162.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.766 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.0 mp -62.66 -41.87 99.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.4 p -51.91 -15.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.7 m80 63.64 50.32 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -115.64 164.27 14.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 m -74.27 156.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.0 t -49.04 121.78 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.55 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -166.99 158.38 12.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.94 178.8 1.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -67.65 136.06 53.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.2 mtp -133.82 168.34 18.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.573 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.82 164.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.05 105.95 1.86 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.8 t -46.72 147.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -82.26 -43.63 17.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -44.64 119.06 3.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.44 36.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -82.27 -34.43 28.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.0 t -42.4 134.56 2.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -89.46 -40.57 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.606 HG23 ' HB3' ' A' ' 18' ' ' TYR . 29.6 mt -73.29 -64.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 0.9 OUTLIER 54.55 36.89 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.5 m95 -165.31 122.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 21.4 m-85 -145.57 178.18 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' O ' HG22 ' A' ' 47' ' ' VAL . 29.0 m80 -108.03 130.47 55.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.5 m-85 -40.17 -69.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.84 -54.74 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.59 -41.93 43.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 43' ' ' HIS . 35.7 m -100.19 25.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.94 71.08 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.0 93.54 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.6 m -56.62 -37.95 71.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 52' ' ' LYS . 10.2 m -150.75 146.92 26.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.4 ttmm -34.48 125.44 0.51 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.557 0.694 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 110.85 2.65 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.37 159.93 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.01 -91.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -139.99 172.44 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.573 ' CE3' HG13 ' A' ' 30' ' ' ILE . 90.5 t90 -164.6 125.13 2.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -112.03 109.11 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.533 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 7.8 p -39.44 155.35 0.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.0 Cg_endo -69.75 -2.19 9.74 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.483 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 14.9 mmm180 -98.8 -19.42 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.4 m -101.44 -42.54 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.95 28.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -80.46 44.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.29 -42.32 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.8 p -48.23 -42.86 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.03 100.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' SER . 53.6 Cg_endo -69.79 0.37 5.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.334 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' PRO . 1.1 t -33.37 131.93 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.7 t -94.4 45.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.491 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -140.28 176.45 8.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.373 . . . . 0.0 110.838 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -174.78 132.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.93 118.6 0.46 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -157.67 115.26 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -137.68 130.07 29.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.88 -151.56 10.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -173.8 142.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.327 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.506 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -100.1 107.51 47.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 9' ' ' MET . 53.4 Cg_endo -69.76 6.41 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.713 2.276 . . . . 0.0 112.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 9' ' ' MET . 17.6 m -93.33 162.29 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.67 157.22 12.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -32.66 18.33 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.714 2.276 . . . . 0.0 112.368 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -38.28 -58.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 139.98 67.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 164.23 35.33 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.397 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.498 HG22 ' C ' ' A' ' 23' ' ' GLN . 5.2 p -137.92 134.11 34.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.135 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.528 ' HB3' HG23 ' A' ' 39' ' ' ILE . 60.6 m-85 -116.91 -68.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 50.0 t -40.36 158.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.92 HD21 ' HD2' ' A' ' 61' ' ' ARG . 3.9 mp -65.82 -31.24 72.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.51 -4.71 4.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 63.24 52.15 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.498 ' C ' HG22 ' A' ' 17' ' ' THR . 9.2 mm100 -118.09 164.51 15.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 m -85.53 177.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.1 p -60.0 124.3 19.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -167.96 162.18 13.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.73 -175.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 131.76 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.7 mtp -127.32 169.1 13.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.597 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -138.93 158.88 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.73 111.52 3.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -45.42 159.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -113.91 35.05 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -121.94 128.53 25.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.706 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.92 35.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.84 -30.53 28.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 t -50.11 146.44 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.7 m -104.49 -43.8 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 18' ' ' TYR . 82.7 mt -76.39 -59.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.557 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 2.2 mt-10 58.45 39.05 25.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 87.5 m95 -166.98 124.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -145.83 168.31 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 19.3 m80 -101.82 127.4 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.479 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 6.1 m-85 -36.66 -70.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.29 -46.74 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.5 m -61.56 -53.52 55.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 43' ' ' HIS . 16.2 m -83.79 27.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.3 62.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.0 mt -107.54 86.65 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -51.55 -39.77 58.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -146.11 143.99 29.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -47.39 122.03 8.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.7 Cg_endo -69.75 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 141.95 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.64 -116.4 4.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -116.0 139.79 49.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.597 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.1 t90 -129.12 151.41 49.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -137.95 122.13 18.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.557 ' HA ' ' CZ2' ' A' ' 57' ' ' TRP . 12.6 p -47.73 155.01 0.84 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.79 6.97 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.92 ' HD2' HD21 ' A' ' 20' ' ' LEU . 30.9 mtp85 -109.13 -21.67 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.0 m -101.63 -31.05 11.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -87.25 23.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -75.85 48.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 55.54 45.95 23.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' GLY . 4.2 m -56.48 168.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' SER . . . -36.17 120.55 0.57 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 179.79 3.42 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.409 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.1 p 39.37 42.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.4 p -45.89 156.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.496 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.851 0.271 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.2 p -98.99 147.32 25.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -127.72 -75.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t -54.99 161.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.727 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.8 mp -55.9 -30.51 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.4 m -49.92 -17.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 62.51 37.88 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -121.66 166.07 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -69.45 177.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.9 p -63.84 130.58 44.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 2.7 p90 -171.19 161.31 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.35 179.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.88 133.52 50.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.1 mtp -134.49 168.09 19.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.605 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -136.69 172.12 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.76 122.02 5.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.0 t -62.2 133.4 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.362 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.454 ' OD2' ' CZ ' ' A' ' 58' ' ' PHE . 11.4 t70 -67.0 -36.43 82.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -53.51 119.26 17.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.22 34.92 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.617 2.212 . . . . 0.0 112.322 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.97 -39.73 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 t -39.47 129.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.6 m -83.51 -43.67 15.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.02 -64.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 0.9 OUTLIER 58.42 37.99 25.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.3 m95 -165.72 123.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -145.34 151.88 39.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 47' ' ' VAL . 32.4 m80 -79.39 140.88 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' CE1' HG23 ' A' ' 30' ' ' ILE . 3.6 m-85 -52.61 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.33 -31.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.9 m -78.71 -49.29 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' ' 49' ' ' LEU . 30.6 m -83.19 35.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.17 46.97 0.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.6 ' HB2' HG23 ' A' ' 47' ' ' VAL . 11.4 mt -114.53 121.08 42.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 m -86.31 -30.75 22.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.5 p -142.23 169.08 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 31.3 tttm -74.77 111.78 14.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.493 0.663 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 52' ' ' LYS . 54.1 Cg_endo -69.73 130.8 20.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -78.71 145.35 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.92 -128.03 9.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -113.3 152.43 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.605 ' CE3' HG13 ' A' ' 30' ' ' ILE . 61.9 t90 -143.15 130.23 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CZ ' ' OD2' ' A' ' 33' ' ' ASP . 17.9 m-85 -109.1 123.05 48.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.563 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 14.7 p -52.72 154.03 5.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.741 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 7.15 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HD2' HD11 ' A' ' 20' ' ' LEU . 69.0 mtp180 -107.13 -19.93 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.2 m -97.85 -55.85 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.822 -179.809 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.839 0.266 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 p -122.36 124.96 44.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -104.98 -70.91 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 22.4 t -39.76 160.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.637 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.0 mp -62.43 -42.58 99.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -54.62 -12.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 65.93 54.49 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -117.62 170.14 9.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.83 165.58 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -73.37 91.16 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.416 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 8.0 p90 -129.02 171.02 12.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.88 -178.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.13 138.13 57.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.355 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 73.9 mtp -136.09 164.93 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.509 ' CG1' ' CZ3' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -129.63 164.66 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.69 109.93 1.93 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.5 t -45.71 155.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.51 -35.04 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -51.36 124.48 23.92 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -19.0 36.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -82.46 -36.77 26.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.9 t -39.69 126.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 m -83.16 -43.63 15.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.639 HG22 ' H ' ' A' ' 41' ' ' TRP . 67.9 mt -70.97 -68.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 1.6 mt-10 62.89 35.43 13.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.639 ' H ' HG22 ' A' ' 39' ' ' ILE . 86.6 m95 -164.29 121.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 16.4 m-85 -145.54 157.68 43.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.88 ' O ' HG22 ' A' ' 47' ' ' VAL . 19.9 m80 -87.1 144.65 26.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.5 m-85 -56.84 -62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.17 -51.78 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.12 -55.14 30.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 43' ' ' HIS . 26.9 m -83.4 34.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.4 64.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -120.44 87.86 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 t -56.31 -32.86 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.6 p -152.68 156.71 39.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.38 122.18 8.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 130.79 20.09 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.404 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 21.3 ttp-105 -74.96 147.36 40.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.55 177.16 6.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -47.76 136.68 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.535 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 70.9 t90 -124.93 126.92 46.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.25 123.61 50.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.535 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 12.6 p -48.68 153.91 1.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.2 2.34 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.628 ' HD2' HD21 ' A' ' 20' ' ' LEU . 9.0 mtp-105 -103.87 -21.11 13.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 88.0 m -98.27 -45.14 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.808 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.884 0.285 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 p -143.26 132.05 22.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.499 ' HB3' HG23 ' A' ' 39' ' ' ILE . 79.3 m-85 -119.27 -67.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 6.5 t -45.82 160.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.785 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.2 mp -55.84 -47.63 76.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 p -51.05 -16.59 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 98.4 m-70 64.14 54.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -114.34 163.36 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m -80.71 156.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -44.37 101.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -143.65 153.96 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.67 -167.5 3.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.511 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 27.9 mt-10 -75.61 139.13 41.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 82.5 mtp -133.61 169.26 17.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.58 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -143.5 163.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.02 120.83 5.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.2 t -53.42 149.44 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.505 ' HB3' ' CE1' ' A' ' 58' ' ' PHE . 6.2 t70 -97.39 30.2 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -118.85 121.0 30.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.88 12.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.35 -21.38 15.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.97 127.17 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 t -78.89 -46.49 18.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.95 HD12 ' NH2' ' A' ' 61' ' ' ARG . 96.6 mt -72.4 -63.69 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 36.7 tt0 55.44 43.51 28.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 70.4 m95 -169.46 123.75 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 16.3 m-85 -145.03 178.52 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.3 m80 -107.97 141.18 40.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.7 m-85 -52.73 -64.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.32 -46.95 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.26 -52.07 66.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 43' ' ' HIS . 27.7 m -84.52 31.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.49 64.08 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 49' ' ' LEU . 12.0 mt -120.29 93.01 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.2 t -55.78 -39.87 71.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.0 p -145.0 165.84 27.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -54.17 118.06 14.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 124.06 10.71 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -75.69 152.44 37.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.12 -152.3 38.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 58' ' ' PHE . 5.7 ptpp? -87.59 126.6 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.58 ' CE3' HG13 ' A' ' 30' ' ' ILE . 92.5 t90 -109.13 134.96 51.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 33' ' ' ASP . 84.9 m-85 -122.3 124.09 42.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.575 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 14.0 p -48.43 153.85 1.25 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 5.18 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.95 ' NH2' HD12 ' A' ' 39' ' ' ILE . 38.2 mtm180 -104.37 -23.31 13.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.6 m -94.84 -46.81 6.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.823 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.847 0.27 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.1 p -116.74 157.53 25.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -131.3 -74.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 t -53.82 158.87 1.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.749 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.0 mp -52.15 -34.72 46.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.6 m -49.92 -20.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 62.33 47.84 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -124.7 178.3 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.2 m -75.28 166.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -66.31 98.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 4.9 p90 -135.78 168.41 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.66 176.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 28.3 mt-10 -59.67 135.05 57.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 61.4 mtp -137.28 162.11 34.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.62 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -132.94 172.55 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -120.18 102.04 0.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.544 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' GLY . 43.9 t -37.59 135.87 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.521 ' OD2' ' CZ ' ' A' ' 58' ' ' PHE . 35.1 t0 -62.24 -41.7 98.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -55.53 118.47 19.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -21.77 33.21 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.53 -36.1 52.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -42.8 112.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.6 p -61.76 -48.47 80.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 41' ' ' TRP . 81.4 mt -67.35 -62.6 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 35.9 tt0 49.38 41.69 21.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 82.5 m95 -167.81 124.23 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -143.64 176.66 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.606 ' O ' HG22 ' A' ' 47' ' ' VAL . 40.3 m80 -100.83 134.55 43.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 28' ' ' GLU . 3.8 m-85 -47.37 -64.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.06 -47.71 8.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.2 m -59.69 -53.7 54.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 43' ' ' HIS . 28.6 m -81.54 36.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 32.47 48.72 0.34 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.536 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.477 ' HB2' HG23 ' A' ' 47' ' ' VAL . 11.8 mt -111.73 88.99 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.5 m -56.5 -38.81 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 p -145.17 159.55 42.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -52.81 117.33 10.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.634 0.731 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.02 32.38 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -89.49 165.34 14.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.62 -143.41 13.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -89.34 170.76 10.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.586 ' CE3' HG13 ' A' ' 30' ' ' ILE . 65.8 t90 -148.86 127.53 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CZ ' ' OD2' ' A' ' 33' ' ' ASP . 58.4 m-85 -107.8 117.03 33.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 13.9 p -43.71 155.7 0.31 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.724 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.5 Cg_endo -69.76 3.8 2.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.636 2.224 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -103.9 -24.57 13.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.6 m -95.72 -43.53 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.845 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.205 0 CA-C-O 120.839 0.266 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 p -126.4 130.12 50.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -109.83 -69.91 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.1 t -44.65 165.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.0 mp -67.46 -40.23 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 p -52.68 -14.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 96.8 m-70 65.46 52.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.85 164.41 16.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 m -77.87 162.06 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -52.75 121.06 6.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -170.81 158.71 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.19 179.05 1.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.14 132.86 55.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.7 mtp -137.67 168.89 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.569 HG13 ' CZ3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -139.32 167.29 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.0 100.37 0.93 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.8 t -38.16 134.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' A' ' 57' ' ' TRP . 1.7 m-20 -59.92 -39.13 84.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -60.8 117.65 27.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.85 30.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.8 m-20 -75.15 -41.65 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.6 t -36.16 124.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -69.46 -51.25 37.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLU . 41.2 mt -69.5 -54.02 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 3.3 pt-20 36.36 37.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 68.5 m95 -165.58 112.67 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -136.5 174.72 10.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.834 ' O ' HG22 ' A' ' 47' ' ' VAL . 21.3 m80 -102.37 141.31 35.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.3 m-85 -52.81 -64.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.18 -46.97 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.2 m -62.29 -51.97 65.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.834 HG22 ' O ' ' A' ' 43' ' ' HIS . 30.8 m -84.04 31.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.56 61.91 0.43 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -115.55 90.79 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 t -54.68 -32.76 59.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -147.85 174.76 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -76.85 122.98 87.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.4 Cg_endo -69.74 146.66 60.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -105.05 163.19 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.23 -87.96 0.69 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -146.42 142.63 28.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CZ3' HG13 ' A' ' 30' ' ' ILE . 87.8 t90 -135.11 116.44 14.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 33' ' ' ASP . 76.5 m-85 -104.42 117.54 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.6 p -42.44 153.95 0.29 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.667 0.746 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 4.49 2.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.244 . . . . 0.0 112.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HD2' HD11 ' A' ' 20' ' ' LEU . 22.7 mtp-105 -104.72 -22.57 13.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.1 m -95.47 -48.42 5.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.806 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.87 0.279 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 p -81.28 139.62 35.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -117.17 -73.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 7.6 t -41.71 162.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.643 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.9 mp -59.35 -46.55 88.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 16.1 p -52.12 -13.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 80.5 m-70 65.21 55.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -117.67 173.2 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 m -93.75 160.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -47.24 110.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -150.31 156.33 41.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.813 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.36 -145.42 27.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -94.02 132.59 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.5 mtp -136.98 155.42 49.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.565 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.44 166.51 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.54 106.6 1.6 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.53 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 t -43.08 147.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -82.8 -37.47 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -50.54 122.37 15.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -22.34 32.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -77.9 -38.19 46.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.0 t -39.46 133.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -90.09 -42.41 11.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.83 -63.89 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 2.4 mt-10 57.28 34.63 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 91.9 m95 -165.75 119.4 1.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 22.2 m-85 -145.67 141.86 28.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' O ' HG22 ' A' ' 47' ' ' VAL . 28.5 m80 -74.0 138.48 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 49' ' ' LEU . 4.5 m-85 -49.99 -66.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.88 -45.71 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.43 -51.16 71.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 43' ' ' HIS . 16.1 m -90.63 26.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.77 68.14 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 10.4 mt -112.74 91.72 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.9 m -59.63 -36.92 77.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -141.87 160.27 40.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.56 125.58 89.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 102.68 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.84 79.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.13 -165.83 26.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -59.17 136.36 57.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.313 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.567 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 86.4 t90 -141.03 115.0 9.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -98.17 110.03 22.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.567 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.0 p -40.17 154.6 0.19 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 9.05 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.642 ' HD2' HD21 ' A' ' 20' ' ' LEU . 46.8 mtp180 -110.02 -24.89 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.9 m -92.47 -44.18 8.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.797 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.221 0 CA-C-O 120.872 0.28 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.439 HG22 ' C ' ' A' ' 23' ' ' GLN . 20.0 p -123.98 141.06 52.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.449 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 11.2 m-85 -118.95 -68.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 7.6 t -43.44 162.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.704 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.7 mp -59.7 -47.28 86.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' CG ' ' A' ' 23' ' ' GLN . 14.5 p -52.6 -13.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 38.4 m-70 64.2 55.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.439 ' C ' HG22 ' A' ' 17' ' ' THR . 4.4 mm100 -111.54 170.38 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.63 161.86 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -56.06 102.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.9 p90 -145.82 166.23 26.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.92 -179.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.457 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.09 140.73 58.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 59.6 mtp -136.77 156.52 48.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.609 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.13 167.16 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.22 105.67 1.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.536 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.9 t -45.93 158.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -98.29 -35.29 10.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 36' ' ' ASP . 33.3 t30 -47.22 124.04 8.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -18.56 36.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 1.5 m-20 -82.6 -38.18 23.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 2.0 t -39.16 134.29 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.7 m -93.2 -41.01 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 43.2 mt -70.65 -65.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.562 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 7.0 mm-40 67.5 28.42 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 96.5 m95 -165.17 131.45 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 17.6 m-85 -145.88 -179.42 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 30.8 m80 -110.41 123.87 50.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.0 m-85 -37.1 -70.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.37 -57.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.1 m -49.36 -52.47 28.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.4 m -83.54 25.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.61 59.8 2.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 49' ' ' LEU . 8.1 mt -113.94 82.8 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 51' ' ' THR . 8.8 t -47.82 -40.65 21.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.417 ' N ' HG23 ' A' ' 50' ' ' THR . 40.9 p -141.14 167.98 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -59.98 128.6 87.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 116.03 4.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -67.92 146.02 54.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.47 -115.44 5.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -108.43 164.7 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.566 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 70.4 t90 -152.32 132.55 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.7 118.99 33.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.5 p -45.44 155.23 0.46 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.77 3.98 2.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 9.6 mtm105 -104.64 -21.51 13.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.9 m -100.04 -38.31 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.856 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.872 0.28 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.484 HG22 ' C ' ' A' ' 23' ' ' GLN . 7.9 p -108.88 127.34 53.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -108.65 -70.6 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 13.7 t -40.25 160.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.778 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.8 mp -60.63 -44.3 96.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 p -53.23 -13.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 94.0 m-70 63.58 54.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.484 ' C ' HG22 ' A' ' 17' ' ' THR . 4.8 mm100 -111.85 173.18 6.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.43 157.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -48.44 109.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -159.82 161.79 34.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.48 -176.59 0.63 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.28 134.65 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 84.8 mtp -139.0 164.56 29.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.586 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -136.98 167.39 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -116.06 101.02 0.97 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' GLY . 17.9 t -34.79 136.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.589 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -64.12 -39.83 94.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -55.47 120.56 32.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.86 29.23 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' CYS . 5.0 t70 -75.01 -39.68 61.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ASP . 5.5 t -37.36 114.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.2 m -66.12 -44.94 82.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 41' ' ' TRP . 58.6 mt -71.65 -61.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.588 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 55.5 tt0 46.72 44.67 14.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 73.4 m95 -169.52 117.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -143.46 157.97 44.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.432 ' O ' HG22 ' A' ' 47' ' ' VAL . 34.5 m80 -88.54 134.39 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.8 m-85 -45.82 -69.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.59 -49.44 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.1 m -53.7 -50.59 65.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG23 ' HG ' ' A' ' 49' ' ' LEU . 34.0 m -93.04 34.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.13 70.98 0.14 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.449 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.564 ' HG ' HG23 ' A' ' 47' ' ' VAL . 9.6 mt -116.62 94.41 4.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.4 m -58.91 -36.69 75.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 p -150.8 168.91 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -65.81 117.0 37.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.6 Cg_endo -69.76 96.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.737 2.292 . . . . 0.0 112.314 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -58.29 158.33 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.65 -96.34 1.76 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -137.63 160.1 40.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.503 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.1 t90 -155.69 115.01 3.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 33' ' ' ASP . 78.5 m-85 -106.55 121.79 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.1 p -47.76 154.53 0.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 6.52 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -107.99 -20.25 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.0 m -101.79 -35.54 9.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.823 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.873 0.28 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' C ' ' A' ' 23' ' ' GLN . 21.4 p -131.1 121.61 25.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.512 ' HB3' HG23 ' A' ' 39' ' ' ILE . 10.6 m-85 -102.04 -68.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 21.3 t -40.8 159.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.692 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.9 mp -62.02 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 23' ' ' GLN . 15.0 p -52.62 -14.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 96.0 m-70 66.74 54.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.524 ' C ' HG22 ' A' ' 17' ' ' THR . 9.4 mm-40 -114.22 166.4 11.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 m -80.53 160.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -53.79 102.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -147.48 164.0 34.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 178.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.95 128.11 34.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.4 mtp -132.3 160.89 34.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.63 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -126.66 169.1 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.59 99.3 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.1 t -39.87 132.1 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.32 -38.73 88.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.531 ' ND2' ' OD2' ' A' ' 36' ' ' ASP . 10.8 t30 -50.36 119.73 11.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 -32.01 19.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.531 ' OD2' ' ND2' ' A' ' 34' ' ' ASN . 3.7 p-10 -68.38 -41.27 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 34' ' ' ASN . 6.7 t -34.75 137.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 m -88.37 -45.5 9.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.583 HG22 ' H ' ' A' ' 41' ' ' TRP . 60.4 mt -67.98 -65.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.566 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 4.3 mt-10 60.97 30.88 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.583 ' H ' HG22 ' A' ' 39' ' ' ILE . 91.0 m95 -166.64 128.23 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 39.6 m-85 -145.76 178.43 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.423 ' O ' HG22 ' A' ' 47' ' ' VAL . 47.7 m80 -109.09 128.04 54.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.452 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.2 m-85 -42.08 -39.44 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.39 -56.39 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.22 -47.82 54.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.617 HG21 HD12 ' A' ' 49' ' ' LEU . 23.2 m -75.72 -41.94 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 47' ' ' VAL . . . 103.66 34.11 3.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.617 HD12 HG21 ' A' ' 47' ' ' VAL . 26.1 mt -91.48 104.15 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 t -59.23 -37.14 76.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -147.02 148.67 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -43.65 117.17 2.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.488 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 54.0 Cg_endo -69.78 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -59.89 162.55 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.5 -122.08 10.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -108.64 143.25 37.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.595 ' CE2' HD11 ' A' ' 49' ' ' LEU . 89.7 t90 -140.66 133.65 29.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -120.88 125.4 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.5 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.1 p -50.55 154.93 2.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.3 Cg_endo -69.73 10.26 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.385 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 59' ' ' CYS . 12.5 mtp-105 -109.96 -27.8 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 78.3 m -91.78 -45.52 8.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.819 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.846 0.269 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' C ' ' A' ' 23' ' ' GLN . 24.3 p -106.3 133.98 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' CYS . 68.5 m-85 -116.91 -68.57 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 13.4 t -39.73 161.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.584 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.2 mp -59.3 -43.75 92.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.8 p -56.66 -11.75 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 63.45 54.39 1.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' C ' HG22 ' A' ' 17' ' ' THR . 4.8 mm100 -111.61 165.35 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.2 m -81.24 160.26 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 t -52.3 101.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.3 p90 -147.44 167.67 23.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.48 -173.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -68.44 133.99 49.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.7 mtp -138.12 167.61 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.587 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -138.26 168.75 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.087 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.36 100.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.516 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.5 t -40.35 136.18 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.23 -41.55 99.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -52.64 118.82 13.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -26.6 27.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.5 m-20 -74.6 -41.33 60.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.7 t -37.12 119.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.4 p -69.95 -46.25 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.638 HG22 ' H ' ' A' ' 41' ' ' TRP . 29.6 mt -72.37 -54.02 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 4.0 pt-20 35.62 37.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.638 ' H ' HG22 ' A' ' 39' ' ' ILE . 72.9 m95 -164.76 115.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -136.3 177.92 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.538 ' O ' HG22 ' A' ' 47' ' ' VAL . 53.2 m80 -106.66 134.52 49.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 6.7 m-85 -48.09 -42.63 29.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.12 -46.34 77.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.2 -50.05 75.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 43' ' ' HIS . 28.8 m -74.01 -30.06 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.51 33.41 7.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.4 119.65 25.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.8 m -72.69 -43.48 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.5 p -142.43 152.4 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -46.34 121.28 6.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.515 0.674 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 146.58 60.83 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.651 2.234 . . . . 0.0 112.369 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -102.24 173.57 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.41 -109.33 1.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.59 130.24 50.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.587 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.4 t90 -117.27 117.03 28.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -102.63 122.14 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.547 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 16.5 p -49.0 154.06 1.38 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.02 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HD2' HD11 ' A' ' 20' ' ' LEU . 18.6 mtp-105 -105.85 -28.35 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.4 m -89.22 -44.74 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.827 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.878 0.283 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.7 p -94.86 147.86 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.417 ' HB3' HG23 ' A' ' 39' ' ' ILE . 30.7 m-85 -128.18 -68.1 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 36.6 t -41.34 162.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.641 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.1 mp -62.27 -36.68 82.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -63.86 -4.84 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 64.04 54.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -121.16 165.19 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.3 m -93.19 174.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 p -51.3 124.12 11.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -170.25 138.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.58 -151.64 52.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.422 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -86.08 131.55 34.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.3 mtp -136.94 164.8 27.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.611 HD11 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -138.21 169.68 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.75 108.59 1.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 14.5 t -43.27 136.83 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.79 -36.3 75.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -52.49 123.46 29.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.589 0.709 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -21.34 33.69 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' CYS . 36.0 t0 -79.86 -36.86 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.0 t -37.65 110.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.9 m -66.83 -43.47 83.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.466 HD12 ' NH2' ' A' ' 61' ' ' ARG . 94.7 mt -77.01 -65.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.535 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 35.2 tt0 58.23 45.17 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.535 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 76.5 m95 -167.93 123.39 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 14.2 m-85 -145.51 167.89 21.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -99.61 132.91 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.459 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.6 m-85 -45.56 -58.03 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.5 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.3 m -72.82 -37.74 67.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.567 ' CG2' HD12 ' A' ' 49' ' ' LEU . 30.7 m -100.1 29.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.35 68.43 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.567 HD12 ' CG2' ' A' ' 47' ' ' VAL . 11.8 mt -120.93 96.28 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.3 p -57.07 -36.03 70.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 t -147.92 172.14 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -67.74 118.15 54.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.702 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 135.74 31.2 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.724 2.282 . . . . 0.0 112.279 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 1.6 tmm_? -88.0 149.71 23.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 54' ' ' ARG . . . 84.49 -117.57 4.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -116.73 165.69 12.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.611 ' CH2' HD11 ' A' ' 30' ' ' ILE . 77.7 t90 -147.75 121.07 8.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -104.24 104.79 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -38.73 154.29 0.15 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.722 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 4.11 2.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.498 ' HD3' HD21 ' A' ' 20' ' ' LEU . 16.7 mtm105 -105.15 -20.11 13.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.7 m -94.94 -54.3 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.883 0.284 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -100.45 131.55 46.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.6 ' HB3' HG23 ' A' ' 39' ' ' ILE . 45.4 m-85 -113.44 -67.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 12.1 t -41.94 162.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.609 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.6 mp -60.65 -44.98 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 20.6 p -54.46 -11.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 69.7 m-70 63.8 54.22 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -112.76 166.32 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.9 162.5 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t -56.03 101.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.1 p90 -152.56 161.37 42.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.5 -178.04 1.69 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.96 129.51 40.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.6 mtp -134.82 166.6 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.577 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -138.04 162.76 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -114.43 98.3 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' GLY . 12.2 t -36.15 146.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.75 -36.51 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.64 120.7 55.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -30.27 22.29 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' CYS . 83.6 m-20 -69.88 -40.02 75.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' ASP . 8.2 t -32.84 120.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -62.26 -51.77 66.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.695 HG22 ' H ' ' A' ' 41' ' ' TRP . 54.9 mt -73.42 -69.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.604 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 10.6 tm-20 66.08 28.3 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.695 ' H ' HG22 ' A' ' 39' ' ' ILE . 57.0 m95 -165.46 118.67 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.04 176.05 9.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 47' ' ' VAL . 37.4 m80 -101.72 148.54 25.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.9 m-85 -58.74 -66.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.64 -42.51 7.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.9 m -65.09 -45.86 83.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 43' ' ' HIS . 22.1 m -92.71 34.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.85 65.39 0.39 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' HG ' HG23 ' A' ' 47' ' ' VAL . 11.3 mt -122.58 88.84 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 p -51.26 -39.94 57.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.4 t -144.88 168.8 19.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -66.67 117.02 40.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.416 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.5 Cg_endo -69.81 104.35 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -64.17 102.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . 124.32 168.27 12.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' GLY . 29.3 mttm -36.51 140.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.577 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.3 t90 -139.32 125.62 20.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -116.35 119.64 36.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.522 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.5 p -46.17 155.19 0.55 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.2 Cg_endo -69.8 12.03 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 61' ' ' ARG . 14.0 mtp-105 -112.3 -28.59 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.5 m -90.69 -48.41 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.771 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.875 0.281 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 p -103.55 132.67 49.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.542 ' HB3' HG23 ' A' ' 39' ' ' ILE . 5.4 m-85 -113.49 -67.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.9 t -44.8 164.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 5.1 mp -65.48 -38.92 91.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.4 p -55.58 -12.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 63.28 47.01 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -114.0 168.82 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 m -75.42 164.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 t -57.2 125.07 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.7 p90 -169.06 162.8 11.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.09 175.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -62.32 137.74 58.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.8 mtp -134.16 167.08 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.613 HD11 ' CH2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -134.72 165.58 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.21 105.17 1.72 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.8 t -43.57 133.69 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -35.93 82.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -56.65 117.73 18.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -25.38 28.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' CYS . 66.0 m-20 -75.08 -39.13 60.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ASP . 7.2 t -36.52 151.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 m -104.2 -42.91 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 18' ' ' TYR . 80.3 mt -70.59 -51.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 1.4 mt-10 40.63 37.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 84.7 m95 -166.85 122.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 29.0 m-85 -145.92 179.97 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.559 ' O ' HG22 ' A' ' 47' ' ' VAL . 23.9 m80 -108.87 132.24 54.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.8 m-85 -43.47 -68.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.66 -52.59 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.4 m -54.61 -53.42 54.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 43' ' ' HIS . 34.6 m -83.18 31.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.64 60.48 0.51 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 49' ' ' LEU . 8.8 mt -115.13 83.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.883 0.373 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 m -46.07 -40.85 11.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.5 p -145.23 162.86 36.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -51.17 121.25 15.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.52 51.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -91.83 179.45 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.78 -125.75 9.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.426 ' HD2' ' CZ ' ' A' ' 58' ' ' PHE . 17.3 pttm -106.51 138.31 42.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.613 ' CH2' HD11 ' A' ' 30' ' ' ILE . 85.2 t90 -124.52 119.65 29.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.426 ' CZ ' ' HD2' ' A' ' 56' ' ' LYS . 90.4 m-85 -105.34 119.84 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 12.2 p -47.97 154.48 0.99 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.25 6.66 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.282 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.474 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 14.4 mmm180 -98.01 -22.86 16.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.8 m -95.36 -55.26 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.817 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.863 0.276 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 p -117.52 133.86 55.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -115.74 -70.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 12.8 t -40.78 161.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.603 HD21 ' HD2' ' A' ' 61' ' ' ARG . 5.6 mp -60.4 -45.2 94.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 p -54.36 -13.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 65.96 55.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -115.21 175.48 5.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -88.2 165.55 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -57.99 100.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.4 p90 -145.33 166.12 26.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.41 -176.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.496 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 68.1 mm-40 -64.72 131.86 48.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.5 mtp -132.87 169.5 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.502 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -141.15 161.63 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -112.81 99.5 1.03 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' GLY . 19.4 t -36.02 146.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.606 ' OD1' ' CD1' ' A' ' 58' ' ' PHE . 1.1 p30 -73.44 -45.65 53.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -49.91 123.1 14.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -29.74 23.27 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' CYS . 26.6 t0 -70.89 -41.9 70.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.9 t -34.99 111.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 t -66.26 -42.55 88.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' ' 41' ' ' TRP . 64.6 mt -70.21 -65.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.569 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 30.9 tt0 48.12 40.93 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 71.6 m95 -169.37 119.3 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -142.16 176.91 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -107.95 130.73 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CD1' ' HB3' ' A' ' 28' ' ' GLU . 5.4 m-85 -42.64 -65.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.08 -39.16 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 m -68.6 -38.74 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.8 m -99.08 27.87 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 37.81 65.59 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.0 mt -119.83 98.9 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.5 p -59.19 -40.14 84.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 m -145.2 156.8 44.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -54.19 121.78 32.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.0 43.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -99.69 110.39 22.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.45 -167.25 12.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 58' ' ' PHE . 23.0 pttp -67.42 125.63 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.719 0.295 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.502 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.4 t90 -120.27 109.61 15.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CD1' ' OD1' ' A' ' 33' ' ' ASP . 76.1 m-85 -94.14 103.85 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 61' ' ' ARG . 12.7 p -36.72 153.98 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.651 0.739 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 13.87 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.603 ' HD2' HD21 ' A' ' 20' ' ' LEU . 13.8 mtp-105 -117.15 -22.49 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.7 m -96.16 -34.24 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.904 0.294 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -116.4 139.01 50.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.477 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 73.9 m-85 -122.71 -57.73 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' CB ' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t -55.12 160.12 2.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.587 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.9 mp -62.54 -36.53 82.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -60.97 -8.49 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 63.79 55.0 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -121.82 168.85 11.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.9 169.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 m -73.03 95.32 2.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -127.77 172.05 11.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.57 -171.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -69.67 135.04 49.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 59.4 mtp -138.4 155.66 48.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.557 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -120.97 168.49 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.44 109.83 1.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.8 t -45.59 156.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -97.38 -29.79 13.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -53.92 124.19 42.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -21.41 33.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.16 -32.23 33.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.2 t -40.5 138.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 p -96.66 -40.39 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 39.3 mt -78.78 -62.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 2.7 mt-10 60.61 37.78 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 84.6 m95 -167.27 121.1 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -145.43 165.24 29.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.854 ' O ' HG22 ' A' ' 47' ' ' VAL . 25.8 m80 -93.81 138.91 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.811 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.1 m-85 -50.21 -52.73 33.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.11 -57.46 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.66 -41.83 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.854 HG22 ' O ' ' A' ' 43' ' ' HIS . 30.8 m -97.27 27.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.42 70.63 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.98 99.47 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 t -62.88 -24.28 67.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.2 t -157.27 168.65 26.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -63.95 124.69 85.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 101.07 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -65.72 149.77 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.96 -116.7 4.52 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -110.93 153.93 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 88.7 t90 -146.53 120.22 9.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -104.63 106.52 17.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.552 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.7 p -38.48 154.49 0.14 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 3.47 2.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -104.4 -21.16 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.2 m -95.04 -46.33 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.825 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.868 0.278 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 p -84.25 131.9 34.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -108.42 -71.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 41.0 t -44.59 162.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.778 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.8 mp -64.7 -35.87 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 30.6 p -62.27 -5.44 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 82.3 m-70 64.12 55.05 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -127.23 164.74 21.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -94.97 168.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 t -63.54 108.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -126.0 -19.49 4.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -140.8 -155.96 6.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -65.1 131.79 47.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.357 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.7 mtp -137.59 166.5 23.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.596 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.06 163.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.98 101.03 1.02 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 29.7 t -38.5 127.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' HB3' ' CE2' ' A' ' 58' ' ' PHE . 13.4 t70 -56.81 -37.59 71.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -56.33 119.34 27.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.26 32.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -77.53 -35.85 52.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -40.21 114.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -66.28 -46.46 76.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.8 mt -72.32 -63.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.551 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 30.5 tt0 52.4 44.18 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 78.3 m95 -168.02 122.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 10.9 m-85 -145.53 166.4 25.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.523 ' O ' HG22 ' A' ' 47' ' ' VAL . 53.3 m80 -96.0 128.24 42.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.3 m-85 -38.54 -64.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.44 -58.1 4.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.6 m -45.48 -54.58 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.654 HG21 HD12 ' A' ' 49' ' ' LEU . 27.3 m -83.91 29.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.26 58.03 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.654 HD12 HG21 ' A' ' 47' ' ' VAL . 11.1 mt -113.51 -45.67 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.961 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.5 p 38.27 27.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' LEU . 8.1 m -165.96 162.23 17.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 51' ' ' THR . 33.2 tttt -97.67 104.78 22.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 86.88 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.5 136.45 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.53 -88.06 0.49 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -155.28 134.83 12.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.337 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.613 ' NE1' HD11 ' A' ' 49' ' ' LEU . 81.8 t90 -129.6 147.66 51.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.406 ' CE2' ' HB3' ' A' ' 33' ' ' ASP . 48.9 m-85 -132.54 125.33 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 13.9 p -50.94 154.57 2.43 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 6.7 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.272 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 -106.6 -24.63 12.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -95.49 -49.77 5.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.842 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.908 0.295 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 23' ' ' GLN . 17.2 p -108.23 130.95 55.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.475 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 4.8 m-85 -111.45 -70.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.2 t -40.94 162.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.679 HD21 ' HD2' ' A' ' 61' ' ' ARG . 5.0 mp -64.57 -36.31 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -57.73 -11.86 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 62.68 46.15 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.6 ' O ' HG22 ' A' ' 17' ' ' THR . 26.9 mt-30 -108.87 -176.04 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 m -92.94 165.57 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 t -62.06 116.83 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 p90 -163.06 167.86 21.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.71 -179.37 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -63.35 133.71 54.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 82.6 mtp -138.35 166.57 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.533 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -136.42 172.16 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -124.08 104.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.2 t -39.0 153.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -107.13 32.09 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -118.34 128.57 25.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -19.06 36.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -84.65 -25.14 28.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 t -55.37 128.32 33.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -84.43 -44.83 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 22.8 mt -78.29 -60.26 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.589 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 33.4 tt0 58.82 41.79 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 68.9 m95 -168.91 124.5 0.91 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -144.85 179.89 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.833 ' O ' HG22 ' A' ' 47' ' ' VAL . 58.5 m80 -106.38 145.71 31.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.02 -42.5 76.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.14 52.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -53.57 -50.05 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 43' ' ' HIS . 30.2 m -74.73 -35.25 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.17 33.58 5.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.904 HD11 ' NE1' ' A' ' 57' ' ' TRP . 19.4 mt -94.45 104.26 16.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.9 p -58.82 -45.47 89.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -137.39 140.65 41.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -39.07 124.33 1.27 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.9 Cg_endo -69.7 156.5 63.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.254 . . . . 0.0 112.369 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 55' ' ' GLY . 26.6 ttp180 -115.59 159.29 21.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 54' ' ' ARG . . . 73.9 -95.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -135.24 136.91 42.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.904 ' NE1' HD11 ' A' ' 49' ' ' LEU . 88.3 t90 -132.04 115.71 16.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -104.38 116.92 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.541 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.5 p -43.98 154.54 0.37 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.679 ' HD2' HD21 ' A' ' 20' ' ' LEU . 29.1 mtp180 -103.95 -22.7 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.0 m -98.69 -44.54 6.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.8 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.835 0.265 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.3 p -107.81 140.97 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.448 ' HB3' HG23 ' A' ' 39' ' ' ILE . 78.3 m-85 -123.64 -62.25 1.32 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 9.8 t -52.15 157.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.706 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.1 mp -54.85 -45.07 74.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 p -53.55 -14.16 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 63.03 54.92 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -116.45 163.45 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 m -79.48 162.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -52.58 116.14 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.534 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -161.0 156.36 24.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.94 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.21 -161.76 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 2.4 mp0 -80.24 138.03 36.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mtp -137.41 166.88 22.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.5 168.53 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -116.06 94.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' GLY . 14.1 t -34.75 141.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -76.18 -40.58 52.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -48.46 119.96 8.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -14.52 36.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -85.05 -34.49 22.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -46.75 108.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -64.23 -43.84 93.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.474 HD12 ' NH1' ' A' ' 61' ' ' ARG . 58.8 mt -70.33 -61.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.574 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 33.4 tt0 53.35 41.73 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.574 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 75.3 m95 -168.72 120.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -142.28 172.84 12.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 47' ' ' VAL . 35.8 m80 -101.19 138.29 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.0 m-85 -50.5 -65.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.33 -49.32 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.64 -49.72 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 43' ' ' HIS . 21.6 m -93.64 32.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 32.68 69.84 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.472 ' HG ' HG23 ' A' ' 47' ' ' VAL . 14.3 mt -116.28 90.15 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -57.0 -35.15 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 m -150.17 144.93 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.35 120.09 11.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.573 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.5 Cg_endo -69.73 125.5 12.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 54' ' ' ARG . 11.3 mtm105 -77.27 148.2 35.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.34 -126.04 7.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -101.04 151.05 22.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.326 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.573 ' CD1' ' HG3' ' A' ' 53' ' ' PRO . 78.1 t90 -146.93 116.3 7.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.28 106.54 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.542 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 21.3 p -38.6 154.8 0.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.78 5.68 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.474 ' NH1' HD12 ' A' ' 39' ' ' ILE . 1.9 ttt-85 -104.14 -31.05 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.6 m -83.22 -54.29 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.797 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.835 0.265 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -93.6 133.36 37.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.606 ' HB3' HG23 ' A' ' 39' ' ' ILE . 4.2 m-85 -115.02 -64.82 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.1 t -47.07 162.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.766 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.0 mp -62.66 -41.87 99.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.4 p -51.91 -15.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 96.6 m-70 63.64 50.32 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -115.64 164.27 14.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 m -74.27 156.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.0 t -49.04 121.78 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.55 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -166.99 158.38 12.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.94 178.8 1.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -67.65 136.06 53.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.2 mtp -133.82 168.34 18.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.573 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.82 164.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.05 105.95 1.86 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.8 t -46.72 147.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -82.26 -43.63 17.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -44.64 119.06 3.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.44 36.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -82.27 -34.43 28.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' HG ' ' HG ' ' A' ' 62' ' ' CYS . 8.0 t -42.4 134.56 2.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -89.46 -40.57 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.606 HG23 ' HB3' ' A' ' 18' ' ' TYR . 29.6 mt -73.29 -64.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 0.9 OUTLIER 54.55 36.89 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.5 m95 -165.31 122.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 21.4 m-85 -145.57 178.18 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.412 ' O ' HG22 ' A' ' 47' ' ' VAL . 29.0 m80 -108.03 130.47 55.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.5 m-85 -40.17 -69.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.84 -54.74 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.59 -41.93 43.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 43' ' ' HIS . 35.7 m -100.19 25.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.94 71.08 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.0 93.54 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.6 m -56.62 -37.95 71.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 52' ' ' LYS . 10.2 m -150.75 146.92 26.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.4 ttmm -34.48 125.44 0.51 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.557 0.694 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 110.85 2.65 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.37 159.93 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.01 -91.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -139.99 172.44 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.573 ' CE3' HG13 ' A' ' 30' ' ' ILE . 90.5 t90 -164.6 125.13 2.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -112.03 109.11 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.533 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 7.8 p -39.44 155.35 0.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.0 Cg_endo -69.75 -2.19 9.74 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.483 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 14.9 mmm180 -98.8 -19.42 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.458 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 87.4 m -101.44 -42.54 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.195 0 CA-C-O 120.847 0.269 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.498 HG22 ' C ' ' A' ' 23' ' ' GLN . 5.2 p -137.92 134.11 34.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.135 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.528 ' HB3' HG23 ' A' ' 39' ' ' ILE . 60.6 m-85 -116.91 -68.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 50.0 t -40.36 158.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.92 HD21 ' HD2' ' A' ' 61' ' ' ARG . 3.9 mp -65.82 -31.24 72.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.51 -4.71 4.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 63.24 52.15 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.498 ' C ' HG22 ' A' ' 17' ' ' THR . 9.2 mm100 -118.09 164.51 15.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 m -85.53 177.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.1 p -60.0 124.3 19.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -167.96 162.18 13.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.73 -175.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 131.76 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.7 mtp -127.32 169.1 13.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.597 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -138.93 158.88 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.73 111.52 3.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -45.42 159.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -113.91 35.05 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -121.94 128.53 25.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.706 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.92 35.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.84 -30.53 28.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 t -50.11 146.44 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.7 m -104.49 -43.8 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 18' ' ' TYR . 82.7 mt -76.39 -59.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.557 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 2.2 mt-10 58.45 39.05 25.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 87.5 m95 -166.98 124.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -145.83 168.31 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 19.3 m80 -101.82 127.4 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.479 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 6.1 m-85 -36.66 -70.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.29 -46.74 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.5 m -61.56 -53.52 55.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 43' ' ' HIS . 16.2 m -83.79 27.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.3 62.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.0 mt -107.54 86.65 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -51.55 -39.77 58.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -146.11 143.99 29.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -47.39 122.03 8.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.7 Cg_endo -69.75 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 141.95 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.64 -116.4 4.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -116.0 139.79 49.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.597 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.1 t90 -129.12 151.41 49.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -137.95 122.13 18.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' HA ' ' CZ2' ' A' ' 57' ' ' TRP . 12.6 p -47.73 155.01 0.84 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.79 6.97 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.92 ' HD2' HD21 ' A' ' 20' ' ' LEU . 30.9 mtp85 -109.13 -21.67 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.0 m -101.63 -31.05 11.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.797 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -153.9 126.26 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -78.36 150.21 33.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -106.17 75.71 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.473 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 4' ' ' GLY . 18.4 t -34.82 123.91 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -75.38 -49.59 18.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.98 -81.14 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -148.16 130.1 15.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.18 145.39 30.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 172.45 12.61 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.8 m -51.64 175.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.2 152.56 18.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.27 3.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.371 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -43.46 -54.65 4.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -138.97 156.75 72.4 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.648 0.737 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.27 69.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.2 p -98.99 147.32 25.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -127.72 -75.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t -54.99 161.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.727 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.8 mp -55.9 -30.51 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.4 m -49.92 -17.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 62.51 37.88 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -121.66 166.07 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -69.45 177.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.9 p -63.84 130.58 44.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 2.7 p90 -171.19 161.31 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.35 179.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.88 133.52 50.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.1 mtp -134.49 168.09 19.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.605 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -136.69 172.12 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.76 122.02 5.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.0 t -62.2 133.4 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.362 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.454 ' OD2' ' CZ ' ' A' ' 58' ' ' PHE . 11.4 t70 -67.0 -36.43 82.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -53.51 119.26 17.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.22 34.92 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.617 2.212 . . . . 0.0 112.322 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.97 -39.73 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 t -39.47 129.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.6 m -83.51 -43.67 15.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.02 -64.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 0.9 OUTLIER 58.42 37.99 25.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.3 m95 -165.72 123.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -145.34 151.88 39.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 47' ' ' VAL . 32.4 m80 -79.39 140.88 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' CE1' HG23 ' A' ' 30' ' ' ILE . 3.6 m-85 -52.61 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.33 -31.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.9 m -78.71 -49.29 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' ' 49' ' ' LEU . 30.6 m -83.19 35.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.17 46.97 0.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.6 ' HB2' HG23 ' A' ' 47' ' ' VAL . 11.4 mt -114.53 121.08 42.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 m -86.31 -30.75 22.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.5 p -142.23 169.08 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 31.3 tttm -74.77 111.78 14.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.493 0.663 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 52' ' ' LYS . 54.1 Cg_endo -69.73 130.8 20.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -78.71 145.35 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.92 -128.03 9.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -113.3 152.43 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.605 ' CE3' HG13 ' A' ' 30' ' ' ILE . 61.9 t90 -143.15 130.23 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CZ ' ' OD2' ' A' ' 33' ' ' ASP . 17.9 m-85 -109.1 123.05 48.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.563 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 14.7 p -52.72 154.03 5.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.741 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 7.15 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HD2' HD11 ' A' ' 20' ' ' LEU . 69.0 mtp180 -107.13 -19.93 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.2 m -97.85 -55.85 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -44.55 -43.61 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.479 ' O ' ' CD ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -73.86 62.03 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.74 142.6 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.3 m -77.31 100.5 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.67 -157.32 8.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -3.54 12.28 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.655 2.237 . . . . 0.0 112.321 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.0 t -45.52 97.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -113.44 155.7 24.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.538 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -119.96 111.56 18.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.822 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 m -119.37 171.44 8.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.38 170.39 17.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 p -111.63 167.44 10.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -96.42 -45.45 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.98 157.39 20.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' MET . 68.1 m-20 -115.72 92.11 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.343 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -34.35 130.43 0.44 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.55 0.691 . . . . 0.0 110.902 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -178.66 2.44 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.561 HG11 ' O ' ' A' ' 22' ' ' HIS . 29.6 m -64.82 176.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.1 150.21 54.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.51 14.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -86.87 -53.6 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.7 134.17 84.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 136.79 33.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.613 2.209 . . . . 0.0 112.353 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 p -122.36 124.96 44.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -104.98 -70.91 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 22.4 t -39.76 160.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.637 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.0 mp -62.43 -42.58 99.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -54.62 -12.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.561 ' O ' HG11 ' A' ' 11' ' ' VAL . 93.4 m-70 65.93 54.49 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -117.62 170.14 9.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.83 165.58 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -73.37 91.16 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.416 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 8.0 p90 -129.02 171.02 12.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.88 -178.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.13 138.13 57.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.355 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 73.9 mtp -136.09 164.93 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.509 ' CG1' ' CZ3' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -129.63 164.66 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.69 109.93 1.93 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.5 t -45.71 155.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.51 -35.04 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -51.36 124.48 23.92 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -19.0 36.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -82.46 -36.77 26.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.9 t -39.69 126.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 m -83.16 -43.63 15.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.639 HG22 ' H ' ' A' ' 41' ' ' TRP . 67.9 mt -70.97 -68.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 1.6 mt-10 62.89 35.43 13.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.639 ' H ' HG22 ' A' ' 39' ' ' ILE . 86.6 m95 -164.29 121.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 16.4 m-85 -145.54 157.68 43.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.88 ' O ' HG22 ' A' ' 47' ' ' VAL . 19.9 m80 -87.1 144.65 26.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.5 m-85 -56.84 -62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.17 -51.78 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.12 -55.14 30.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 43' ' ' HIS . 26.9 m -83.4 34.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.4 64.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -120.44 87.86 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 t -56.31 -32.86 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.6 p -152.68 156.71 39.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.38 122.18 8.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 130.79 20.09 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.404 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 21.3 ttp-105 -74.96 147.36 40.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.55 177.16 6.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -47.76 136.68 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.535 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 70.9 t90 -124.93 126.92 46.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.25 123.61 50.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.535 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 12.6 p -48.68 153.91 1.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.2 2.34 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.628 ' HD2' HD21 ' A' ' 20' ' ' LEU . 9.0 mtp-105 -103.87 -21.11 13.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 88.0 m -98.27 -45.14 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 t -65.14 -13.38 57.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -94.96 49.71 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.02 -49.89 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 t -67.64 -46.16 73.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.51 -133.4 51.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 118.45 5.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -63.88 -62.33 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.6 m -89.34 -59.67 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.495 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -168.67 167.81 11.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -150.56 144.23 25.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.76 114.12 3.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -128.76 159.74 34.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.381 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.9 p -164.57 173.17 12.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . -170.57 -174.15 38.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.543 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' GLY . 25.5 t0 -35.07 145.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' ASP . 3.6 ptp -37.26 99.86 0.19 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.543 0.687 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 165.23 31.64 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.721 2.281 . . . . 0.0 112.304 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -75.86 175.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -170.78 151.8 3.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -28.94 24.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.399 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -44.34 -58.44 2.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -128.88 92.72 39.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.738 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 160.92 47.92 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 p -143.26 132.05 22.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.499 ' HB3' HG23 ' A' ' 39' ' ' ILE . 79.3 m-85 -119.27 -67.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 6.5 t -45.82 160.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.785 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.2 mp -55.84 -47.63 76.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 p -51.05 -16.59 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 98.4 m-70 64.14 54.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -114.34 163.36 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m -80.71 156.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -44.37 101.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -143.65 153.96 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.67 -167.5 3.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.511 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 27.9 mt-10 -75.61 139.13 41.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 82.5 mtp -133.61 169.26 17.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.58 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -143.5 163.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.02 120.83 5.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.2 t -53.42 149.44 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.505 ' HB3' ' CE1' ' A' ' 58' ' ' PHE . 6.2 t70 -97.39 30.2 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -118.85 121.0 30.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.88 12.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.35 -21.38 15.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.97 127.17 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 t -78.89 -46.49 18.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.95 HD12 ' NH2' ' A' ' 61' ' ' ARG . 96.6 mt -72.4 -63.69 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 36.7 tt0 55.44 43.51 28.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 70.4 m95 -169.46 123.75 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 16.3 m-85 -145.03 178.52 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.3 m80 -107.97 141.18 40.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.7 m-85 -52.73 -64.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.32 -46.95 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.26 -52.07 66.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 43' ' ' HIS . 27.7 m -84.52 31.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.49 64.08 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 49' ' ' LEU . 12.0 mt -120.29 93.01 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.2 t -55.78 -39.87 71.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.0 p -145.0 165.84 27.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -54.17 118.06 14.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 124.06 10.71 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -75.69 152.44 37.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.12 -152.3 38.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 58' ' ' PHE . 5.7 ptpp? -87.59 126.6 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.58 ' CE3' HG13 ' A' ' 30' ' ' ILE . 92.5 t90 -109.13 134.96 51.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 33' ' ' ASP . 84.9 m-85 -122.3 124.09 42.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.575 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 14.0 p -48.43 153.85 1.25 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 5.18 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.95 ' NH2' HD12 ' A' ' 39' ' ' ILE . 38.2 mtm180 -104.37 -23.31 13.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.6 m -94.84 -46.81 6.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.9 t -60.09 -32.1 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -81.77 40.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 66' ' ' SER . 7.6 tp10 -98.96 154.77 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 3.4 m -41.28 -60.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.33 93.43 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 127.92 15.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -88.74 130.14 35.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -91.34 122.84 34.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.51 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 m -113.3 80.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.91 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 m -115.57 104.82 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.07 146.79 5.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -82.95 114.41 21.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -121.78 -45.52 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.31 70.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.39 103.56 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.9 ptp -41.35 152.18 0.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 101.96 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.391 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.7 m -56.31 178.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -172.7 157.35 3.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -22.12 32.75 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -56.62 -43.78 80.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.41 160.27 34.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.41 40.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.279 . . . . 0.0 112.361 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.1 p -116.74 157.53 25.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -131.3 -74.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 t -53.82 158.87 1.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.749 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.0 mp -52.15 -34.72 46.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.6 m -49.92 -20.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 62.33 47.84 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -124.7 178.3 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.2 m -75.28 166.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -66.31 98.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 4.9 p90 -135.78 168.41 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.66 176.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 28.3 mt-10 -59.67 135.05 57.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 61.4 mtp -137.28 162.11 34.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.62 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -132.94 172.55 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -120.18 102.04 0.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.544 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' GLY . 43.9 t -37.59 135.87 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.521 ' OD2' ' CZ ' ' A' ' 58' ' ' PHE . 35.1 t0 -62.24 -41.7 98.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -55.53 118.47 19.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -21.77 33.21 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.53 -36.1 52.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -42.8 112.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.6 p -61.76 -48.47 80.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 41' ' ' TRP . 81.4 mt -67.35 -62.6 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 35.9 tt0 49.38 41.69 21.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 82.5 m95 -167.81 124.23 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -143.64 176.66 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.606 ' O ' HG22 ' A' ' 47' ' ' VAL . 40.3 m80 -100.83 134.55 43.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 28' ' ' GLU . 3.8 m-85 -47.37 -64.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.06 -47.71 8.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.2 m -59.69 -53.7 54.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 43' ' ' HIS . 28.6 m -81.54 36.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 32.47 48.72 0.34 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.536 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.477 ' HB2' HG23 ' A' ' 47' ' ' VAL . 11.8 mt -111.73 88.99 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.5 m -56.5 -38.81 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 p -145.17 159.55 42.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -52.81 117.33 10.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.634 0.731 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.02 32.38 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -89.49 165.34 14.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.62 -143.41 13.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -89.34 170.76 10.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.586 ' CE3' HG13 ' A' ' 30' ' ' ILE . 65.8 t90 -148.86 127.53 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CZ ' ' OD2' ' A' ' 33' ' ' ASP . 58.4 m-85 -107.8 117.03 33.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 13.9 p -43.71 155.7 0.31 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.724 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.5 Cg_endo -69.76 3.8 2.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.636 2.224 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -103.9 -24.57 13.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.6 m -95.72 -43.53 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 64' ' ' GLN . 1.4 t -86.82 18.11 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -33.33 -46.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 36.5 tt0 -61.72 117.63 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m 41.52 43.52 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -110.47 -165.11 19.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 86.51 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.8 p -102.97 170.05 8.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -114.69 -50.68 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.449 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 t -113.02 92.93 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.0 m -98.84 145.29 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 141.62 32.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -149.42 123.93 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 t -160.77 160.65 31.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.57 83.53 0.52 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -82.92 129.16 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 30.6 mtt -123.05 126.1 26.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.691 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 179.01 3.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 2.228 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.2 m -100.49 165.41 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.63 156.75 10.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.847 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -17.97 37.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -44.25 -58.87 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -102.37 144.53 28.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 154.88 67.3 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.379 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 p -126.4 130.12 50.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -109.83 -69.91 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.1 t -44.65 165.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.0 mp -67.46 -40.23 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 p -52.68 -14.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 96.8 m-70 65.46 52.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.85 164.41 16.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 m -77.87 162.06 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -52.75 121.06 6.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -170.81 158.71 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.19 179.05 1.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.14 132.86 55.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.7 mtp -137.67 168.89 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.569 HG13 ' CZ3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -139.32 167.29 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.0 100.37 0.93 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.8 t -38.16 134.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' A' ' 57' ' ' TRP . 1.7 m-20 -59.92 -39.13 84.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -60.8 117.65 27.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.85 30.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.8 m-20 -75.15 -41.65 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.6 t -36.16 124.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -69.46 -51.25 37.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLU . 41.2 mt -69.5 -54.02 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 3.3 pt-20 36.36 37.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 68.5 m95 -165.58 112.67 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -136.5 174.72 10.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.834 ' O ' HG22 ' A' ' 47' ' ' VAL . 21.3 m80 -102.37 141.31 35.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.3 m-85 -52.81 -64.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.18 -46.97 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.2 m -62.29 -51.97 65.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.834 HG22 ' O ' ' A' ' 43' ' ' HIS . 30.8 m -84.04 31.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.56 61.91 0.43 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -115.55 90.79 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 t -54.68 -32.76 59.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -147.85 174.76 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -76.85 122.98 87.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.4 Cg_endo -69.74 146.66 60.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -105.05 163.19 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.23 -87.96 0.69 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -146.42 142.63 28.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CZ3' HG13 ' A' ' 30' ' ' ILE . 87.8 t90 -135.11 116.44 14.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 33' ' ' ASP . 76.5 m-85 -104.42 117.54 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.6 p -42.44 153.95 0.29 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.667 0.746 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 4.49 2.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.244 . . . . 0.0 112.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HD2' HD11 ' A' ' 20' ' ' LEU . 22.7 mtp-105 -104.72 -22.57 13.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.1 m -95.47 -48.42 5.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -65.4 -47.04 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -100.64 75.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' SER . 12.6 tp10 -124.01 108.04 11.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' GLU . 45.0 t -34.58 103.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 68' ' ' PRO . . . 152.81 111.65 0.47 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.453 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 69' ' ' SER . 53.4 Cg_endo -69.78 5.44 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.303 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 68' ' ' PRO . 73.4 p -32.63 105.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 90.0 p -114.24 -177.61 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.506 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.2 p -129.73 160.12 34.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -105.31 -56.2 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.88 -164.64 21.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 p -142.45 146.37 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -59.42 140.51 56.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.92 -43.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.88 142.68 17.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.786 0.327 . . . . 0.0 110.832 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.2 mtp -103.56 136.0 19.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.703 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -174.08 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.727 2.284 . . . . 0.0 112.345 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.3 m -63.54 165.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.97 161.13 14.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.49 10.78 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.695 2.264 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.1 m120 -45.35 -50.57 12.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 30.1 mt-10 -102.33 96.73 7.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 54.0 Cg_endo -69.78 142.38 47.7 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 p -81.28 139.62 35.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -117.17 -73.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 7.6 t -41.71 162.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.643 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.9 mp -59.35 -46.55 88.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 16.1 p -52.12 -13.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 80.5 m-70 65.21 55.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -117.67 173.2 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 m -93.75 160.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -47.24 110.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -150.31 156.33 41.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.813 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.36 -145.42 27.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -94.02 132.59 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.5 mtp -136.98 155.42 49.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.565 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.44 166.51 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.54 106.6 1.6 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.53 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 t -43.08 147.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -82.8 -37.47 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -50.54 122.37 15.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -22.34 32.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -77.9 -38.19 46.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.0 t -39.46 133.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 t -90.09 -42.41 11.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.83 -63.89 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 2.4 mt-10 57.28 34.63 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 91.9 m95 -165.75 119.4 1.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 22.2 m-85 -145.67 141.86 28.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.579 ' O ' HG22 ' A' ' 47' ' ' VAL . 28.5 m80 -74.0 138.48 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 49' ' ' LEU . 4.5 m-85 -49.99 -66.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.88 -45.71 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.43 -51.16 71.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 43' ' ' HIS . 16.1 m -90.63 26.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.77 68.14 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 10.4 mt -112.74 91.72 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.936 0.398 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.9 m -59.63 -36.92 77.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -141.87 160.27 40.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.56 125.58 89.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 102.68 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.84 79.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.13 -165.83 26.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -59.17 136.36 57.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.313 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.567 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 86.4 t90 -141.03 115.0 9.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -98.17 110.03 22.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.567 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.0 p -40.17 154.6 0.19 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 9.05 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.642 ' HD2' HD21 ' A' ' 20' ' ' LEU . 46.8 mtp180 -110.02 -24.89 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.9 m -92.47 -44.18 8.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.6 t -71.51 -40.85 69.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -81.12 42.45 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -123.48 137.05 54.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 m 58.02 41.9 23.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.93 -141.77 3.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 109.27 2.28 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -154.61 169.96 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -97.07 -61.51 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.48 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -50.56 160.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -152.9 110.04 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.36 120.49 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 p -170.34 124.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -145.09 165.4 28.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.91 -117.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -88.94 105.28 17.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.4 tpp -68.07 131.96 92.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 156.1 64.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.8 m -87.75 175.67 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.95 148.48 15.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.575 0.702 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -37.17 9.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -58.01 -47.25 83.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 35.4 mt-10 -120.01 95.8 49.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.652 0.739 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 53.1 Cg_endo -69.76 147.06 62.03 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.439 HG22 ' C ' ' A' ' 23' ' ' GLN . 20.0 p -123.98 141.06 52.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.449 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 11.2 m-85 -118.95 -68.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 7.6 t -43.44 162.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.704 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.7 mp -59.7 -47.28 86.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' CG ' ' A' ' 23' ' ' GLN . 14.5 p -52.6 -13.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 38.4 m-70 64.2 55.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.439 ' C ' HG22 ' A' ' 17' ' ' THR . 4.4 mm100 -111.54 170.38 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.63 161.86 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -56.06 102.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.9 p90 -145.82 166.23 26.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.92 -179.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.457 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.09 140.73 58.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 59.6 mtp -136.77 156.52 48.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.609 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -125.13 167.16 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.22 105.67 1.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.536 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.9 t -45.93 158.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -98.29 -35.29 10.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 36' ' ' ASP . 33.3 t30 -47.22 124.04 8.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -18.56 36.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 1.5 m-20 -82.6 -38.18 23.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.438 ' HB3' ' CD ' ' A' ' 40' ' ' GLU . 2.0 t -39.16 134.29 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.7 m -93.2 -41.01 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 43.2 mt -70.65 -65.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.562 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 7.0 mm-40 67.5 28.42 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 96.5 m95 -165.17 131.45 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 17.6 m-85 -145.88 -179.42 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 30.8 m80 -110.41 123.87 50.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.0 m-85 -37.1 -70.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.37 -57.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.1 m -49.36 -52.47 28.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.4 m -83.54 25.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.61 59.8 2.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 49' ' ' LEU . 8.1 mt -113.94 82.8 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 51' ' ' THR . 8.8 t -47.82 -40.65 21.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.417 ' N ' HG23 ' A' ' 50' ' ' THR . 40.9 p -141.14 167.98 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -59.98 128.6 87.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 116.03 4.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -67.92 146.02 54.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.47 -115.44 5.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -108.43 164.7 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.566 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 70.4 t90 -152.32 132.55 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.7 118.99 33.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.5 p -45.44 155.23 0.46 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.77 3.98 2.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 9.6 mtm105 -104.64 -21.51 13.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.9 m -100.04 -38.31 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 64' ' ' GLN . 1.1 t -85.96 23.49 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 63' ' ' SER . 18.6 pt20 -33.21 -42.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -87.08 82.68 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -169.71 124.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.29 157.93 18.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -33.96 15.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.265 . . . . 0.0 112.384 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 m -60.07 120.37 9.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.9 t -94.97 -58.09 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.522 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 m 52.86 41.83 31.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 m -106.46 176.31 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.29 146.68 18.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.534 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 6' ' ' SER . 80.5 p -75.01 82.53 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.829 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 5' ' ' SER . 67.4 m 34.36 43.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.65 66.04 2.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -100.46 61.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.5 mtt -150.07 161.69 30.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 11' ' ' VAL . 53.7 Cg_endo -69.72 172.48 12.52 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 10' ' ' PRO . 32.1 m -33.96 146.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -173.33 151.61 2.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 2.84 3.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.262 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -79.28 -62.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -71.21 138.33 84.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 141.35 45.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.484 HG22 ' C ' ' A' ' 23' ' ' GLN . 7.9 p -108.88 127.34 53.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -108.65 -70.6 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 13.7 t -40.25 160.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.778 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.8 mp -60.63 -44.3 96.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 p -53.23 -13.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 94.0 m-70 63.58 54.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' C ' HG22 ' A' ' 17' ' ' THR . 4.8 mm100 -111.85 173.18 6.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.43 157.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -48.44 109.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -159.82 161.79 34.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.48 -176.59 0.63 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.28 134.65 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 84.8 mtp -139.0 164.56 29.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.586 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -136.98 167.39 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -116.06 101.02 0.97 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' GLY . 17.9 t -34.79 136.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.589 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -64.12 -39.83 94.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -55.47 120.56 32.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.86 29.23 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' CYS . 5.0 t70 -75.01 -39.68 61.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ASP . 5.5 t -37.36 114.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.2 m -66.12 -44.94 82.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 41' ' ' TRP . 58.6 mt -71.65 -61.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.588 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 55.5 tt0 46.72 44.67 14.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 73.4 m95 -169.52 117.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -143.46 157.97 44.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.432 ' O ' HG22 ' A' ' 47' ' ' VAL . 34.5 m80 -88.54 134.39 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.8 m-85 -45.82 -69.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.59 -49.44 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.1 m -53.7 -50.59 65.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG23 ' HG ' ' A' ' 49' ' ' LEU . 34.0 m -93.04 34.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.13 70.98 0.14 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.449 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.564 ' HG ' HG23 ' A' ' 47' ' ' VAL . 9.6 mt -116.62 94.41 4.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.4 m -58.91 -36.69 75.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 p -150.8 168.91 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -65.81 117.0 37.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.6 Cg_endo -69.76 96.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.737 2.292 . . . . 0.0 112.314 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -58.29 158.33 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.65 -96.34 1.76 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -137.63 160.1 40.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.503 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.1 t90 -155.69 115.01 3.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 33' ' ' ASP . 78.5 m-85 -106.55 121.79 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.1 p -47.76 154.53 0.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 6.52 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -107.99 -20.25 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.0 m -101.79 -35.54 9.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -83.17 20.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -111.94 76.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -123.23 122.18 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.9 m -80.66 150.14 29.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 69' ' ' SER . . . -129.95 169.52 20.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 69' ' ' SER . 54.1 Cg_endo -69.77 13.18 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.252 . . . . 0.0 112.369 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.508 ' C ' ' O ' ' A' ' 68' ' ' PRO . 22.8 t -28.91 127.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.1 m -70.59 113.98 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.079 -0.845 . . . . 0.0 112.53 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -81.75 157.02 24.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -77.75 103.33 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.46 121.06 5.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 m -114.46 150.0 35.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -91.93 132.64 36.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.799 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.62 106.16 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.97 112.89 17.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -71.18 131.6 86.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -175.51 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.0 m -51.04 163.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.72 143.54 3.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.609 0.719 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -20.33 34.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.621 2.214 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -40.89 -52.27 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -95.49 143.77 26.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 170.53 16.31 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' C ' ' A' ' 23' ' ' GLN . 21.4 p -131.1 121.61 25.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.512 ' HB3' HG23 ' A' ' 39' ' ' ILE . 10.6 m-85 -102.04 -68.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 21.3 t -40.8 159.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.692 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.9 mp -62.02 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 23' ' ' GLN . 15.0 p -52.62 -14.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 96.0 m-70 66.74 54.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.524 ' C ' HG22 ' A' ' 17' ' ' THR . 9.4 mm-40 -114.22 166.4 11.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 m -80.53 160.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -53.79 102.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -147.48 164.0 34.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 178.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.95 128.11 34.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.4 mtp -132.3 160.89 34.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.63 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -126.66 169.1 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.59 99.3 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.1 t -39.87 132.1 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.32 -38.73 88.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.531 ' ND2' ' OD2' ' A' ' 36' ' ' ASP . 10.8 t30 -50.36 119.73 11.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 -32.01 19.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.531 ' OD2' ' ND2' ' A' ' 34' ' ' ASN . 3.7 p-10 -68.38 -41.27 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 34' ' ' ASN . 6.7 t -34.75 137.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 m -88.37 -45.5 9.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.583 HG22 ' H ' ' A' ' 41' ' ' TRP . 60.4 mt -67.98 -65.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.566 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 4.3 mt-10 60.97 30.88 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.583 ' H ' HG22 ' A' ' 39' ' ' ILE . 91.0 m95 -166.64 128.23 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 39.6 m-85 -145.76 178.43 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' O ' HG22 ' A' ' 47' ' ' VAL . 47.7 m80 -109.09 128.04 54.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.452 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.2 m-85 -42.08 -39.44 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.39 -56.39 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.22 -47.82 54.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.617 HG21 HD12 ' A' ' 49' ' ' LEU . 23.2 m -75.72 -41.94 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 47' ' ' VAL . . . 103.66 34.11 3.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.617 HD12 HG21 ' A' ' 47' ' ' VAL . 26.1 mt -91.48 104.15 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 t -59.23 -37.14 76.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -147.02 148.67 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -43.65 117.17 2.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.488 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 54.0 Cg_endo -69.78 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -59.89 162.55 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.5 -122.08 10.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -108.64 143.25 37.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.595 ' CE2' HD11 ' A' ' 49' ' ' LEU . 89.7 t90 -140.66 133.65 29.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -120.88 125.4 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.5 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.1 p -50.55 154.93 2.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.3 Cg_endo -69.73 10.26 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.385 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 59' ' ' CYS . 12.5 mtp-105 -109.96 -27.8 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 78.3 m -91.78 -45.52 8.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t -53.38 -47.41 69.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -108.12 75.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -62.24 158.58 16.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -41.23 -42.73 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.63 174.99 43.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 163.96 36.3 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 p -111.33 150.49 29.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -73.79 -60.08 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.455 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -157.53 105.35 2.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -123.68 122.79 39.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.3 108.52 0.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 t -130.39 138.59 50.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -141.4 123.77 15.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.9 118.84 5.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.88 159.34 16.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.4 ttt -152.92 131.19 6.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.644 0.735 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.67 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.6 m -55.41 162.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.18 159.86 12.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.837 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 2.86 3.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.24 . . . . 0.0 112.307 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.7 -53.45 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -130.18 158.47 74.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.729 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.15 52.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' C ' ' A' ' 23' ' ' GLN . 24.3 p -106.3 133.98 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' CYS . 68.5 m-85 -116.91 -68.57 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 13.4 t -39.73 161.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.584 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.2 mp -59.3 -43.75 92.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.8 p -56.66 -11.75 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 63.45 54.39 1.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' C ' HG22 ' A' ' 17' ' ' THR . 4.8 mm100 -111.61 165.35 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.2 m -81.24 160.26 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 t -52.3 101.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.3 p90 -147.44 167.67 23.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.48 -173.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -68.44 133.99 49.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.7 mtp -138.12 167.61 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.587 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -138.26 168.75 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.087 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.36 100.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.516 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.5 t -40.35 136.18 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.23 -41.55 99.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -52.64 118.82 13.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -26.6 27.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.5 m-20 -74.6 -41.33 60.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.7 t -37.12 119.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.4 p -69.95 -46.25 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.638 HG22 ' H ' ' A' ' 41' ' ' TRP . 29.6 mt -72.37 -54.02 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 4.0 pt-20 35.62 37.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.638 ' H ' HG22 ' A' ' 39' ' ' ILE . 72.9 m95 -164.76 115.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -136.3 177.92 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.538 ' O ' HG22 ' A' ' 47' ' ' VAL . 53.2 m80 -106.66 134.52 49.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 6.7 m-85 -48.09 -42.63 29.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.12 -46.34 77.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.2 -50.05 75.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 43' ' ' HIS . 28.8 m -74.01 -30.06 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.51 33.41 7.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.4 119.65 25.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.8 m -72.69 -43.48 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.5 p -142.43 152.4 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -46.34 121.28 6.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.515 0.674 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 146.58 60.83 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.651 2.234 . . . . 0.0 112.369 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -102.24 173.57 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.41 -109.33 1.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.59 130.24 50.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.587 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.4 t90 -117.27 117.03 28.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -102.63 122.14 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.547 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 16.5 p -49.0 154.06 1.38 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.02 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HD2' HD11 ' A' ' 20' ' ' LEU . 18.6 mtp-105 -105.85 -28.35 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.4 m -89.22 -44.74 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -59.57 -42.0 91.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -91.66 39.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' SER . 5.7 pt-20 -81.46 42.13 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 69' ' ' SER . 69.3 m -34.5 151.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.6 -116.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.55 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.734 2.289 . . . . 0.0 112.376 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.472 ' HB3' ' CB ' ' A' ' 66' ' ' SER . 23.0 t -66.74 97.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.3 t -55.6 148.28 16.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.472 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -149.41 143.31 25.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.82 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -134.96 110.53 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.76 138.44 4.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -88.84 97.01 10.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.878 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -117.47 105.13 11.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.27 -114.45 3.22 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -99.54 120.87 40.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.455 ' C ' ' H ' ' A' ' 11' ' ' VAL . 19.7 mtt -111.96 150.56 42.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.529 0.68 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.504 ' O ' ' C ' ' A' ' 11' ' ' VAL . 53.9 Cg_endo -69.78 16.13 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' A' ' 10' ' ' PRO . 27.5 m -28.69 135.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -139.43 162.14 53.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.5 36.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.252 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.94 -55.76 24.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.787 ' HB2' HG11 ' A' ' 24' ' ' VAL . 47.6 mm-40 -49.93 156.18 1.36 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 134.42 27.86 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.7 p -94.86 147.86 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.417 ' HB3' HG23 ' A' ' 39' ' ' ILE . 30.7 m-85 -128.18 -68.1 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 36.6 t -41.34 162.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.641 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.1 mp -62.27 -36.68 82.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -63.86 -4.84 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 64.04 54.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -121.16 165.19 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.787 HG11 ' HB2' ' A' ' 15' ' ' GLU . 4.3 m -93.19 174.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 p -51.3 124.12 11.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -170.25 138.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.58 -151.64 52.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.422 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -86.08 131.55 34.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.3 mtp -136.94 164.8 27.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.611 HD11 ' CH2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -138.21 169.68 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.75 108.59 1.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 14.5 t -43.27 136.83 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.79 -36.3 75.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -52.49 123.46 29.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.589 0.709 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -21.34 33.69 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' CYS . 36.0 t0 -79.86 -36.86 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ASP . 4.0 t -37.65 110.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.9 m -66.83 -43.47 83.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.466 HD12 ' NH2' ' A' ' 61' ' ' ARG . 94.7 mt -77.01 -65.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.535 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 35.2 tt0 58.23 45.17 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.535 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 76.5 m95 -167.93 123.39 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 14.2 m-85 -145.51 167.89 21.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -99.61 132.91 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.459 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.6 m-85 -45.56 -58.03 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.5 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.3 m -72.82 -37.74 67.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.567 ' CG2' HD12 ' A' ' 49' ' ' LEU . 30.7 m -100.1 29.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.35 68.43 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD12 ' CG2' ' A' ' 47' ' ' VAL . 11.8 mt -120.93 96.28 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.3 p -57.07 -36.03 70.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 t -147.92 172.14 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -67.74 118.15 54.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.702 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 135.74 31.2 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.724 2.282 . . . . 0.0 112.279 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 1.6 tmm_? -88.0 149.71 23.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 54' ' ' ARG . . . 84.49 -117.57 4.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -116.73 165.69 12.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.611 ' CH2' HD11 ' A' ' 30' ' ' ILE . 77.7 t90 -147.75 121.07 8.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -104.24 104.79 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -38.73 154.29 0.15 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.722 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 4.11 2.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' HD3' HD21 ' A' ' 20' ' ' LEU . 16.7 mtm105 -105.15 -20.11 13.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.7 m -94.94 -54.3 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t -51.87 -51.07 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -57.29 -49.49 75.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.93 103.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.6 p -57.46 153.22 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.11 97.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 122.38 9.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.5 t -80.31 113.73 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 p -114.09 168.07 10.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.491 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -143.5 122.3 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.8 p -91.87 171.0 9.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.87 141.01 7.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 p -165.21 165.9 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.396 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -108.57 126.37 52.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.39 145.06 9.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 8.7 p-10 -72.27 95.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.331 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.46 161.23 53.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.564 0.697 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 156.48 63.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -43.37 167.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.13 155.89 28.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.628 0.728 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 1.54 4.38 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.401 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -60.21 -46.02 91.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 14' ' ' ASN . 41.3 mm-40 -137.06 143.17 41.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 140.38 42.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -100.45 131.55 46.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.6 ' HB3' HG23 ' A' ' 39' ' ' ILE . 45.4 m-85 -113.44 -67.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 12.1 t -41.94 162.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.609 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.6 mp -60.65 -44.98 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 20.6 p -54.46 -11.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 69.7 m-70 63.8 54.22 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -112.76 166.32 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.9 162.5 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t -56.03 101.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.1 p90 -152.56 161.37 42.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.5 -178.04 1.69 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.96 129.51 40.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.6 mtp -134.82 166.6 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.577 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -138.04 162.76 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -114.43 98.3 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' GLY . 12.2 t -36.15 146.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.75 -36.51 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.64 120.7 55.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -30.27 22.29 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' CYS . 83.6 m-20 -69.88 -40.02 75.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' ASP . 8.2 t -32.84 120.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -62.26 -51.77 66.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.695 HG22 ' H ' ' A' ' 41' ' ' TRP . 54.9 mt -73.42 -69.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.604 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 10.6 tm-20 66.08 28.3 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.695 ' H ' HG22 ' A' ' 39' ' ' ILE . 57.0 m95 -165.46 118.67 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.04 176.05 9.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 47' ' ' VAL . 37.4 m80 -101.72 148.54 25.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.9 m-85 -58.74 -66.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.64 -42.51 7.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.9 m -65.09 -45.86 83.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 43' ' ' HIS . 22.1 m -92.71 34.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.85 65.39 0.39 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' HG ' HG23 ' A' ' 47' ' ' VAL . 11.3 mt -122.58 88.84 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 p -51.26 -39.94 57.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.4 t -144.88 168.8 19.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -66.67 117.02 40.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.416 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.5 Cg_endo -69.81 104.35 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -64.17 102.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . 124.32 168.27 12.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.5 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' GLY . 29.3 mttm -36.51 140.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.577 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.3 t90 -139.32 125.62 20.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -116.35 119.64 36.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.522 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 15.5 p -46.17 155.19 0.55 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.447 ' O ' ' CG ' ' A' ' 64' ' ' GLN . 54.2 Cg_endo -69.8 12.03 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 61' ' ' ARG . 14.0 mtp-105 -112.3 -28.59 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.5 m -90.69 -48.41 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 t -56.53 -60.54 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.472 ' O ' ' CD ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -79.34 54.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -121.43 -45.12 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t -125.28 160.71 28.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.11 -149.97 26.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 92.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -61.71 146.97 47.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.4 m -72.5 160.67 31.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m -102.76 175.82 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -85.55 -57.89 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.23 -118.8 0.51 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -129.66 99.63 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -151.31 139.72 20.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.5 -101.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.437 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -128.61 81.34 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.482 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -74.2 -62.0 1.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 9' ' ' MET . 54.1 Cg_endo -69.78 120.73 7.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' CG ' ' A' ' 12' ' ' ASP . 34.5 m -90.17 171.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 11' ' ' VAL . 4.7 m-20 -174.5 158.06 2.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -19.91 35.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -41.48 -52.87 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -115.37 127.7 26.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.05 49.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 p -103.55 132.67 49.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.542 ' HB3' HG23 ' A' ' 39' ' ' ILE . 5.4 m-85 -113.49 -67.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.9 t -44.8 164.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 5.1 mp -65.48 -38.92 91.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.4 p -55.58 -12.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 63.28 47.01 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -114.0 168.82 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 m -75.42 164.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 t -57.2 125.07 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.7 p90 -169.06 162.8 11.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.09 175.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -62.32 137.74 58.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.8 mtp -134.16 167.08 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.613 HD11 ' CH2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -134.72 165.58 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.21 105.17 1.72 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.8 t -43.57 133.69 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -35.93 82.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -56.65 117.73 18.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -25.38 28.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' CYS . 66.0 m-20 -75.08 -39.13 60.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ASP . 7.2 t -36.52 151.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 m -104.2 -42.91 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 18' ' ' TYR . 80.3 mt -70.59 -51.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 1.4 mt-10 40.63 37.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 84.7 m95 -166.85 122.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 29.0 m-85 -145.92 179.97 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.559 ' O ' HG22 ' A' ' 47' ' ' VAL . 23.9 m80 -108.87 132.24 54.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.8 m-85 -43.47 -68.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.66 -52.59 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.4 m -54.61 -53.42 54.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 43' ' ' HIS . 34.6 m -83.18 31.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.64 60.48 0.51 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 49' ' ' LEU . 8.8 mt -115.13 83.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.883 0.373 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 m -46.07 -40.85 11.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.5 p -145.23 162.86 36.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -51.17 121.25 15.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.52 51.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -91.83 179.45 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.78 -125.75 9.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' HD2' ' CZ ' ' A' ' 58' ' ' PHE . 17.3 pttm -106.51 138.31 42.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.613 ' CH2' HD11 ' A' ' 30' ' ' ILE . 85.2 t90 -124.52 119.65 29.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.426 ' CZ ' ' HD2' ' A' ' 56' ' ' LYS . 90.4 m-85 -105.34 119.84 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 12.2 p -47.97 154.48 0.99 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.25 6.66 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.282 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.474 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 14.4 mmm180 -98.01 -22.86 16.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.8 m -95.36 -55.26 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -45.43 -35.5 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -81.28 41.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -99.83 -40.02 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.1 t -99.04 145.37 27.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.817 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -50.72 162.8 1.03 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.36 17.43 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.6 m -96.67 165.74 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.3 p -113.67 126.44 55.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.487 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.3 p -129.89 126.64 38.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.909 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p -152.32 120.58 6.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.78 144.51 44.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -106.21 82.83 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 110.815 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -64.42 155.28 33.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.43 -160.42 23.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.42 102.05 6.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.21 140.27 28.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.535 0.684 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -174.84 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.734 2.289 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.7 m -52.06 170.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' OD1' ' OE1' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -165.78 159.55 13.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 110.866 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.96 35.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -66.86 -39.26 87.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HB3' HG12 ' A' ' 24' ' ' VAL . 5.7 mt-10 -45.06 134.67 5.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 127.07 14.06 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 p -117.52 133.86 55.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -115.74 -70.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 12.8 t -40.78 161.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.603 HD21 ' HD2' ' A' ' 61' ' ' ARG . 5.6 mp -60.4 -45.2 94.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 p -54.36 -13.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 65.96 55.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -115.21 175.48 5.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.43 HG12 ' HB3' ' A' ' 15' ' ' GLU . 14.1 m -88.2 165.55 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -57.99 100.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.4 p90 -145.33 166.12 26.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.41 -176.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.496 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 68.1 mm-40 -64.72 131.86 48.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.5 mtp -132.87 169.5 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.502 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -141.15 161.63 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -112.81 99.5 1.03 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' GLY . 19.4 t -36.02 146.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.606 ' OD1' ' CD1' ' A' ' 58' ' ' PHE . 1.1 p30 -73.44 -45.65 53.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -49.91 123.1 14.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -29.74 23.27 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' CYS . 26.6 t0 -70.89 -41.9 70.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.9 t -34.99 111.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 t -66.26 -42.55 88.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' ' 41' ' ' TRP . 64.6 mt -70.21 -65.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.569 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 30.9 tt0 48.12 40.93 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 71.6 m95 -169.37 119.3 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -142.16 176.91 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -107.95 130.73 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CD1' ' HB3' ' A' ' 28' ' ' GLU . 5.4 m-85 -42.64 -65.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.08 -39.16 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 m -68.6 -38.74 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.8 m -99.08 27.87 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 37.81 65.59 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.0 mt -119.83 98.9 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.5 p -59.19 -40.14 84.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 m -145.2 156.8 44.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -54.19 121.78 32.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.0 43.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -99.69 110.39 22.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.45 -167.25 12.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 58' ' ' PHE . 23.0 pttp -67.42 125.63 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.719 0.295 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.502 ' CE3' HG13 ' A' ' 30' ' ' ILE . 86.4 t90 -120.27 109.61 15.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CD1' ' OD1' ' A' ' 33' ' ' ASP . 76.1 m-85 -94.14 103.85 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 61' ' ' ARG . 12.7 p -36.72 153.98 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.651 0.739 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 13.87 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.603 ' HD2' HD21 ' A' ' 20' ' ' LEU . 13.8 mtp-105 -117.15 -22.49 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.7 m -96.16 -34.24 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.485 ' O ' ' C ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -83.65 33.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.813 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 63' ' ' SER . 15.4 mp0 -30.63 -60.19 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -48.18 112.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -128.57 84.88 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -109.63 -176.5 21.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.81 7.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.5 m -38.76 130.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.81 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.9 m 60.88 41.78 13.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.513 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -53.96 141.7 27.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.36 . . . . 0.0 110.821 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 m -143.64 109.9 5.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.54 -171.81 8.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -85.9 116.65 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -115.81 99.64 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.48 -174.87 22.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -128.73 103.12 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 mtt -127.09 118.02 21.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -165.99 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.7 2.267 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.98 157.43 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.25 146.34 19.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.739 . . . . 0.0 110.847 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 15' ' ' GLU . 54.0 Cg_endo -69.72 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' PRO . 28.1 m-20 35.23 31.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' PRO . 4.7 mm-40 -148.13 144.23 18.59 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.621 0.724 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 149.74 67.23 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -116.4 139.01 50.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.477 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 73.9 m-85 -122.71 -57.73 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' CB ' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t -55.12 160.12 2.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.587 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.9 mp -62.54 -36.53 82.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -60.97 -8.49 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 63.79 55.0 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -121.82 168.85 11.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 m -74.9 169.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 m -73.03 95.32 2.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -127.77 172.05 11.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.57 -171.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -69.67 135.04 49.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 59.4 mtp -138.4 155.66 48.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.557 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -120.97 168.49 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.44 109.83 1.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.8 t -45.59 156.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -97.38 -29.79 13.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -53.92 124.19 42.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -21.41 33.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.16 -32.23 33.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.2 t -40.5 138.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 p -96.66 -40.39 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 39.3 mt -78.78 -62.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 2.7 mt-10 60.61 37.78 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 84.6 m95 -167.27 121.1 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -145.43 165.24 29.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.854 ' O ' HG22 ' A' ' 47' ' ' VAL . 25.8 m80 -93.81 138.91 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.811 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.1 m-85 -50.21 -52.73 33.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.11 -57.46 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.66 -41.83 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.854 HG22 ' O ' ' A' ' 43' ' ' HIS . 30.8 m -97.27 27.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 35.42 70.63 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.98 99.47 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 t -62.88 -24.28 67.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.2 t -157.27 168.65 26.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -63.95 124.69 85.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 101.07 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -65.72 149.77 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.96 -116.7 4.52 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -110.93 153.93 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 59' ' ' CYS . 88.7 t90 -146.53 120.22 9.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -104.63 106.52 17.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.552 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.7 p -38.48 154.49 0.14 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 3.47 2.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -104.4 -21.16 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.2 m -95.04 -46.33 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.5 t -62.16 -37.84 86.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.55 -51.61 62.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -86.01 96.78 9.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -151.72 177.37 10.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.15 134.38 14.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.457 ' HG2' ' C ' ' A' ' 71' ' ' GLY . 53.7 Cg_endo -69.7 -176.62 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.5 m -65.61 -41.04 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.4 p -113.91 40.96 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' C ' ' HG2' ' A' ' 68' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -146.21 126.64 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.389 . . . . 0.0 110.88 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -115.29 173.86 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.78 97.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -170.8 132.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -160.34 157.97 28.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.3 -126.78 5.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -147.22 169.18 19.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.2 ptm -40.57 144.96 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.597 0.713 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.29 20.96 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.325 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 11' ' ' VAL . 17.6 m -60.08 105.32 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -40.43 146.81 0.41 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -5.72 16.86 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -70.0 -51.07 35.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -97.27 120.95 60.05 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.652 0.739 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 145.74 57.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.26 . . . . 0.0 112.344 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 p -84.25 131.9 34.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -108.42 -71.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 41.0 t -44.59 162.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.778 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.8 mp -64.7 -35.87 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 30.6 p -62.27 -5.44 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 82.3 m-70 64.12 55.05 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -127.23 164.74 21.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -94.97 168.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 t -63.54 108.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -126.0 -19.49 4.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -140.8 -155.96 6.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -65.1 131.79 47.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.357 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.7 mtp -137.59 166.5 23.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.596 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.06 163.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.98 101.03 1.02 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 29.7 t -38.5 127.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' HB3' ' CE2' ' A' ' 58' ' ' PHE . 13.4 t70 -56.81 -37.59 71.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -56.33 119.34 27.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.26 32.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -77.53 -35.85 52.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 t -40.21 114.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -66.28 -46.46 76.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.8 mt -72.32 -63.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.551 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 30.5 tt0 52.4 44.18 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 78.3 m95 -168.02 122.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 10.9 m-85 -145.53 166.4 25.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.523 ' O ' HG22 ' A' ' 47' ' ' VAL . 53.3 m80 -96.0 128.24 42.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 3.3 m-85 -38.54 -64.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.44 -58.1 4.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.6 m -45.48 -54.58 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.654 HG21 HD12 ' A' ' 49' ' ' LEU . 27.3 m -83.91 29.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 33.26 58.03 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.654 HD12 HG21 ' A' ' 47' ' ' VAL . 11.1 mt -113.51 -45.67 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.961 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.5 p 38.27 27.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' LEU . 8.1 m -165.96 162.23 17.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 51' ' ' THR . 33.2 tttt -97.67 104.78 22.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 86.88 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.5 136.45 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.53 -88.06 0.49 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -155.28 134.83 12.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.337 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.613 ' NE1' HD11 ' A' ' 49' ' ' LEU . 81.8 t90 -129.6 147.66 51.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.406 ' CE2' ' HB3' ' A' ' 33' ' ' ASP . 48.9 m-85 -132.54 125.33 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 13.9 p -50.94 154.57 2.43 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 6.7 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.272 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 -106.6 -24.63 12.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -95.49 -49.77 5.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.1 t -54.66 -57.45 11.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 65.13 41.6 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -105.98 160.19 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.9 t -58.39 124.95 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.5 -116.0 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 91.73 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 t -55.0 133.14 48.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m 44.09 48.36 7.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.485 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -45.93 -48.8 16.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t 60.6 42.15 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.96 -163.63 21.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 t -117.61 160.83 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.804 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -122.61 134.58 54.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.44 121.5 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.45 118.25 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.5 tpt -51.35 113.78 4.3 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.535 0.683 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 177.92 5.06 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.406 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.53 171.91 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HB3' ' ND2' ' A' ' 14' ' ' ASN . 8.2 m-20 -171.08 151.72 3.27 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -40.06 5.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' ND2' ' HB3' ' A' ' 12' ' ' ASP . 3.7 p30 -42.67 -55.28 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' OE2' HG11 ' A' ' 24' ' ' VAL . 11.0 mt-10 -115.97 107.68 47.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 53.7 Cg_endo -69.76 141.67 45.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 23' ' ' GLN . 17.2 p -108.23 130.95 55.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.475 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . 4.8 m-85 -111.45 -70.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.2 t -40.94 162.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.679 HD21 ' HD2' ' A' ' 61' ' ' ARG . 5.0 mp -64.57 -36.31 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -57.73 -11.86 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 62.68 46.15 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.6 ' O ' HG22 ' A' ' 17' ' ' THR . 26.9 mt-30 -108.87 -176.04 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.455 HG11 ' OE2' ' A' ' 15' ' ' GLU . 10.8 m -92.94 165.57 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 t -62.06 116.83 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 p90 -163.06 167.86 21.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 50.71 -179.37 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -63.35 133.71 54.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 82.6 mtp -138.35 166.57 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.533 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -136.42 172.16 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -124.08 104.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.2 t -39.0 153.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -107.13 32.09 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -118.34 128.57 25.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -19.06 36.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -84.65 -25.14 28.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 t -55.37 128.32 33.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -84.43 -44.83 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 18' ' ' TYR . 22.8 mt -78.29 -60.26 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.589 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 33.4 tt0 58.82 41.79 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 68.9 m95 -168.91 124.5 0.91 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -144.85 179.89 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.833 ' O ' HG22 ' A' ' 47' ' ' VAL . 58.5 m80 -106.38 145.71 31.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.02 -42.5 76.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.14 52.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -53.57 -50.05 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 43' ' ' HIS . 30.2 m -74.73 -35.25 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.17 33.58 5.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.904 HD11 ' NE1' ' A' ' 57' ' ' TRP . 19.4 mt -94.45 104.26 16.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.9 p -58.82 -45.47 89.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -137.39 140.65 41.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -39.07 124.33 1.27 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.9 Cg_endo -69.7 156.5 63.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.254 . . . . 0.0 112.369 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 55' ' ' GLY . 26.6 ttp180 -115.59 159.29 21.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 54' ' ' ARG . . . 73.9 -95.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -135.24 136.91 42.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.904 ' NE1' HD11 ' A' ' 49' ' ' LEU . 88.3 t90 -132.04 115.71 16.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -104.38 116.92 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.541 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 11.5 p -43.98 154.54 0.37 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.679 ' HD2' HD21 ' A' ' 20' ' ' LEU . 29.1 mtp180 -103.95 -22.7 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.475 ' O ' ' NE2' ' A' ' 64' ' ' GLN . 68.0 m -98.69 -44.54 6.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 64' ' ' GLN . 1.3 t -82.85 18.19 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' A' ' 63' ' ' SER . 2.0 mp0 31.03 51.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -92.47 26.85 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.6 m -141.03 109.23 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.421 ' HA2' ' HD2' ' A' ' 68' ' ' PRO . . . -153.77 99.66 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.421 ' HD2' ' HA2' ' A' ' 67' ' ' GLY . 53.8 Cg_endo -69.69 -170.64 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.7 p -125.16 136.99 54.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 m -82.59 92.13 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.491 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -80.4 139.28 36.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.815 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -118.25 151.89 36.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.14 131.8 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.3 p -92.21 114.66 27.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 p -82.45 -43.02 17.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.27 -146.94 7.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -97.63 127.36 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 ptp -43.89 123.87 4.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 151.4 68.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.7 m -129.94 173.77 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -171.0 153.75 3.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -19.57 36.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -85.93 -57.01 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -45.87 104.48 0.4 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 116.3 4.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.3 p -107.81 140.97 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.448 ' HB3' HG23 ' A' ' 39' ' ' ILE . 78.3 m-85 -123.64 -62.25 1.32 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 20' ' ' LEU . 9.8 t -52.15 157.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.706 ' H ' HD12 ' A' ' 20' ' ' LEU . 3.1 mp -54.85 -45.07 74.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 p -53.55 -14.16 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 63.03 54.92 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -116.45 163.45 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 m -79.48 162.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -52.58 116.14 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.534 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -161.0 156.36 24.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.94 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.21 -161.76 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 2.4 mp0 -80.24 138.03 36.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mtp -137.41 166.88 22.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.5 168.53 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' CYS . . . -116.06 94.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' GLY . 14.1 t -34.75 141.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -76.18 -40.58 52.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -48.46 119.96 8.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -14.52 36.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -85.05 -34.49 22.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -46.75 108.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -64.23 -43.84 93.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.474 HD12 ' NH1' ' A' ' 61' ' ' ARG . 58.8 mt -70.33 -61.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.574 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 33.4 tt0 53.35 41.73 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.574 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 75.3 m95 -168.72 120.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -142.28 172.84 12.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 47' ' ' VAL . 35.8 m80 -101.19 138.29 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.0 m-85 -50.5 -65.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.33 -49.32 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.64 -49.72 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 43' ' ' HIS . 21.6 m -93.64 32.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 32.68 69.84 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.472 ' HG ' HG23 ' A' ' 47' ' ' VAL . 14.3 mt -116.28 90.15 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -57.0 -35.15 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 m -150.17 144.93 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.35 120.09 11.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.573 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.5 Cg_endo -69.73 125.5 12.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 54' ' ' ARG . 11.3 mtm105 -77.27 148.2 35.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.34 -126.04 7.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -101.04 151.05 22.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.326 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.573 ' CD1' ' HG3' ' A' ' 53' ' ' PRO . 78.1 t90 -146.93 116.3 7.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.28 106.54 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.542 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 21.3 p -38.6 154.8 0.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.78 5.68 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.474 ' NH1' HD12 ' A' ' 39' ' ' ILE . 1.9 ttt-85 -104.14 -31.05 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.6 m -83.22 -54.29 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 t -51.97 -39.29 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -92.51 41.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -107.78 127.6 53.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.6 t -46.66 -47.54 20.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.07 -164.18 37.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -174.57 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.228 . . . . 0.0 112.306 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -68.03 93.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.1 t -69.0 -56.66 7.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.913 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.516 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -131.53 116.14 17.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -141.47 124.18 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.22 -120.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -71.36 155.39 40.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.907 0.384 . . . . 0.0 110.82 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -90.41 85.55 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.15 152.02 8.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.8 134.93 34.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.324 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.5 ptm -108.75 131.62 21.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 179.87 3.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.665 2.244 . . . . 0.0 112.393 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m -91.65 173.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -172.63 158.43 3.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.72 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -47.91 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.622 2.215 . . . . 0.0 112.359 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.483 ' ND2' ' H ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -40.67 -58.53 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 2.0 mp0 -126.98 94.89 38.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 53.9 Cg_endo -69.78 140.09 41.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -93.6 133.36 37.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.606 ' HB3' HG23 ' A' ' 39' ' ' ILE . 4.2 m-85 -115.02 -64.82 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.1 t -47.07 162.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.766 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.0 mp -62.66 -41.87 99.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.4 p -51.91 -15.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 96.6 m-70 63.64 50.32 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -115.64 164.27 14.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 m -74.27 156.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.0 t -49.04 121.78 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.55 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -166.99 158.38 12.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.94 178.8 1.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -67.65 136.06 53.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.2 mtp -133.82 168.34 18.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.573 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -132.82 164.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.05 105.95 1.86 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.8 t -46.72 147.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -82.26 -43.63 17.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -44.64 119.06 3.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.44 36.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -82.27 -34.43 28.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.0 t -42.4 134.56 2.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -89.46 -40.57 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.606 HG23 ' HB3' ' A' ' 18' ' ' TYR . 29.6 mt -73.29 -64.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 41' ' ' TRP . 0.9 OUTLIER 54.55 36.89 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 86.5 m95 -165.31 122.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 21.4 m-85 -145.57 178.18 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' O ' HG22 ' A' ' 47' ' ' VAL . 29.0 m80 -108.03 130.47 55.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 4.5 m-85 -40.17 -69.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.84 -54.74 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.59 -41.93 43.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 43' ' ' HIS . 35.7 m -100.19 25.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.94 71.08 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.0 93.54 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.6 m -56.62 -37.95 71.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 52' ' ' LYS . 10.2 m -150.75 146.92 26.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.4 ttmm -34.48 125.44 0.51 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.557 0.694 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 110.85 2.65 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.37 159.93 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.01 -91.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -139.99 172.44 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.573 ' CE3' HG13 ' A' ' 30' ' ' ILE . 90.5 t90 -164.6 125.13 2.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -112.03 109.11 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.533 ' HA ' ' CH2' ' A' ' 57' ' ' TRP . 7.8 p -39.44 155.35 0.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 54.0 Cg_endo -69.75 -2.19 9.74 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.483 ' HD3' ' CD2' ' A' ' 20' ' ' LEU . 14.9 mmm180 -98.8 -19.42 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.4 m -101.44 -42.54 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.95 28.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -80.46 44.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.29 -42.32 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.8 p -48.23 -42.86 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.03 100.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' SER . 53.6 Cg_endo -69.79 0.37 5.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.334 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' PRO . 1.1 t -33.37 131.93 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.7 t -94.4 45.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.491 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -140.28 176.45 8.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.373 . . . . 0.0 110.838 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -174.78 132.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.93 118.6 0.46 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -157.67 115.26 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -137.68 130.07 29.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.88 -151.56 10.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -173.8 142.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.327 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.506 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -100.1 107.51 47.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 9' ' ' MET . 53.4 Cg_endo -69.76 6.41 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.713 2.276 . . . . 0.0 112.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 9' ' ' MET . 17.6 m -93.33 162.29 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.67 157.22 12.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -32.66 18.33 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.714 2.276 . . . . 0.0 112.368 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -38.28 -58.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 139.98 67.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 164.23 35.33 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.397 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.498 HG22 ' C ' ' A' ' 23' ' ' GLN . 5.2 p -137.92 134.11 34.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.135 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.528 ' HB3' HG23 ' A' ' 39' ' ' ILE . 60.6 m-85 -116.91 -68.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 50.0 t -40.36 158.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.92 HD21 ' HD2' ' A' ' 61' ' ' ARG . 3.9 mp -65.82 -31.24 72.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.51 -4.71 4.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 63.24 52.15 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.498 ' C ' HG22 ' A' ' 17' ' ' THR . 9.2 mm100 -118.09 164.51 15.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 m -85.53 177.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.1 p -60.0 124.3 19.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 1.6 p90 -167.96 162.18 13.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.73 -175.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 131.76 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.7 mtp -127.32 169.1 13.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.597 HG13 ' CE3' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -138.93 158.88 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.73 111.52 3.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -45.42 159.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -113.91 35.05 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -121.94 128.53 25.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.706 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.92 35.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.84 -30.53 28.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 t -50.11 146.44 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.7 m -104.49 -43.8 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 18' ' ' TYR . 82.7 mt -76.39 -59.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.557 ' O ' ' CD1' ' A' ' 41' ' ' TRP . 2.2 mt-10 58.45 39.05 25.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 87.5 m95 -166.98 124.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -145.83 168.31 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 19.3 m80 -101.82 127.4 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.479 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 6.1 m-85 -36.66 -70.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.29 -46.74 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.5 m -61.56 -53.52 55.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 43' ' ' HIS . 16.2 m -83.79 27.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 47' ' ' VAL . . . 34.3 62.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.0 mt -107.54 86.65 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -51.55 -39.77 58.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -146.11 143.99 29.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -47.39 122.03 8.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HG3' ' CD1' ' A' ' 57' ' ' TRP . 53.7 Cg_endo -69.75 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 141.95 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.64 -116.4 4.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -116.0 139.79 49.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.597 ' CE3' HG13 ' A' ' 30' ' ' ILE . 81.1 t90 -129.12 151.41 49.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -137.95 122.13 18.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.557 ' HA ' ' CZ2' ' A' ' 57' ' ' TRP . 12.6 p -47.73 155.01 0.84 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 59' ' ' CYS . 53.9 Cg_endo -69.79 6.97 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.92 ' HD2' HD21 ' A' ' 20' ' ' LEU . 30.9 mtp85 -109.13 -21.67 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.0 m -101.63 -31.05 11.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -87.25 23.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -75.85 48.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 55.54 45.95 23.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' GLY . 4.2 m -56.48 168.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' SER . . . -36.17 120.55 0.57 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 179.79 3.42 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.409 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.1 p 39.37 42.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.4 p -45.89 156.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.496 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_