data_2yuv_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 2yuv _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.824 0.345 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.539 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 35.7 m-85 -92.65 114.88 27.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.3 -29.74 65.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -149.89 110.07 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.406 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 2.8 pp -77.3 163.36 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 5.5 mt -70.43 152.51 43.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.1 m-20 -53.87 155.77 5.72 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.85 33.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.67 131.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 23.8 m-85 -108.16 166.48 10.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -150.26 126.66 10.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.462 HG12 ' CG1' ' A' ' 26' ' ' VAL . 5.8 p -144.05 164.14 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -81.59 155.69 25.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' GLY . 21.3 ttpp -53.47 158.3 1.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.96 30.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -101.27 -146.8 19.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -145.93 127.37 15.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 20' ' ' VAL . 28.0 m -93.24 165.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.525 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 52.3 ttp180 -128.92 113.81 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -116.45 110.11 18.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 30' ' ' VAL . 49.9 t -116.76 142.73 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.403 ' N ' HG12 ' A' ' 29' ' ' VAL . 21.0 m -144.21 142.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.97 149.54 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.71 132.2 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.27 -30.51 50.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.55 143.51 16.12 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -21.55 33.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -53.53 -40.56 65.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.82 159.64 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -112.17 145.91 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.66 144.73 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 21.9 mtmt -143.3 126.64 16.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -99.48 138.59 36.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.54 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 99.2 m-85 -137.55 145.74 43.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -127.47 104.49 7.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 64.76 43.34 4.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.85 35.77 80.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -141.95 120.76 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.733 0.301 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.514 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 53.9 tt0 -57.3 130.3 45.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 49' ' ' ARG . 57.6 mt -90.04 136.66 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.404 ' N ' HG21 ' A' ' 48' ' ' ILE . 62.2 mtt180 -103.3 143.38 26.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 115.62 4.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' TYR . 4.3 t -152.98 168.58 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' SER . 35.1 p -36.8 -39.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -70.35 -43.98 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 51' ' ' SER . 78.8 m-85 -101.25 114.65 28.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mm -101.32 105.57 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -93.37 114.59 27.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.745 0.307 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -142.04 139.63 32.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -126.95 113.78 16.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.402 HG22 ' CE2' ' A' ' 66' ' ' PHE . 2.1 mp -103.95 149.14 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.539 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.3 tm? -140.49 128.52 22.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.525 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 97.0 m-85 -119.21 134.09 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.447 HG13 ' CD1' ' A' ' 65' ' ' LEU . 53.2 mt -119.62 108.86 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.184 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -84.58 159.82 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 69.67 41.17 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLY . 83.1 m -67.58 102.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.403 ' C ' HG13 ' A' ' 93' ' ' VAL . 12.7 tp-100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 1.1 t0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.814 0.34 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.41 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 5.1 m -136.51 170.27 16.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -81.33 138.89 35.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CE1' ' O ' ' A' ' 76' ' ' SER . 76.2 m-85 -125.93 140.2 52.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 26.5 p90 -147.75 125.98 12.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.973 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.67 142.73 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.4 p -115.95 142.61 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -152.91 111.7 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.14 -115.67 5.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.91 27.4 9.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -144.95 162.87 35.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -164.38 153.14 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.0 p -131.39 173.72 10.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.0 p -143.99 156.36 44.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -147.75 168.86 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -122.35 131.22 53.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 92' ' ' PHE . 3.1 tm? -97.32 131.75 43.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.445 ' N ' HD12 ' A' ' 91' ' ' LEU . 54.1 m-85 -121.26 96.37 5.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.403 HG13 ' C ' ' A' ' 71' ' ' GLN . 5.2 p -101.06 121.5 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.779 0.323 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 42.5 m-85 -99.01 109.28 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -33.41 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -143.37 105.07 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 pt -73.56 160.03 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' CD2' ' CG1' ' A' ' 30' ' ' VAL . 6.7 mt -66.38 140.41 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.568 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -41.82 154.06 0.26 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.555 0.693 . . . . 0.0 110.858 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.13 25.35 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.82 139.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 16.4 m-85 -117.52 164.22 15.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -148.51 124.28 10.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG12 ' CG1' ' A' ' 26' ' ' VAL . 3.5 p -140.18 163.8 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.16 155.16 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' GLY . 4.8 ttpm? -51.94 154.72 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.48 30.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.422 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -100.81 -148.74 22.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -140.71 126.49 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 ' CG1' HD21 ' A' ' 91' ' ' LEU . 16.8 m -92.52 162.19 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -128.77 118.56 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -119.33 112.59 19.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.6 t -112.32 140.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.438 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 28.9 m -145.25 132.08 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -97.87 155.67 16.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD21 ' CG1' ' A' ' 39' ' ' VAL . 5.2 mt -129.19 127.85 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.27 -30.13 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -151.42 142.92 15.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -17.61 37.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -63.57 -29.2 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 mt -78.16 136.85 37.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -84.75 178.87 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' A' ' 32' ' ' LEU . 29.2 m -145.42 151.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -150.16 124.71 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -96.77 134.88 39.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.429 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 86.9 m-85 -128.33 150.69 49.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -132.35 96.52 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 72.75 37.91 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.53 33.52 47.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -142.54 134.43 27.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -67.59 134.46 51.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -93.96 140.96 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -110.17 143.65 28.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 121.67 8.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 t -157.59 -179.95 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -49.43 -19.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -90.24 -47.81 7.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -100.86 120.3 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mm -108.76 112.74 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -100.51 120.57 40.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.771 0.319 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -134.18 104.12 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 mmt-85 -91.89 119.03 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.547 HG23 ' CE2' ' A' ' 66' ' ' PHE . 17.2 mt -109.15 139.2 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.426 ' CD1' HG13 ' A' ' 67' ' ' ILE . 3.3 tm? -128.58 128.76 44.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.547 ' CE2' HG23 ' A' ' 64' ' ' ILE . 95.4 m-85 -117.48 129.85 56.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 65' ' ' LEU . 50.0 mt -116.54 112.48 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -85.47 167.42 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 61.65 44.55 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' GLY . 93.2 m -67.18 97.47 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.455 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 28.3 p -136.46 165.32 26.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -85.72 107.09 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 76' ' ' SER . 15.3 m-85 -97.21 145.11 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 20.5 p90 -149.6 131.03 14.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 p -103.15 161.65 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.0 p -131.77 141.4 49.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -150.57 112.52 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.17 -103.49 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.43 8.43 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -119.42 159.91 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -161.44 146.65 13.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 t -134.56 166.11 23.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.8 t -135.56 169.58 17.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.2 t -150.74 173.31 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.92 123.8 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.461 HD21 ' CG1' ' A' ' 26' ' ' VAL . 2.9 tm? -97.11 132.96 42.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -125.37 95.68 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.6 p -93.27 121.72 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.6 mtp85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.779 0.323 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CE1' HG12 ' A' ' 80' ' ' VAL . 32.4 m-85 -102.5 106.5 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.48 -32.34 73.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -146.24 105.45 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.28 162.58 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt -69.02 149.4 48.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.552 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 14.3 m-20 -50.02 156.37 1.35 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -10.07 27.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 0.0 112.389 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.67 144.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.552 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 26.9 m-85 -122.17 162.36 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -147.3 126.22 12.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.475 HG12 ' CG1' ' A' ' 26' ' ' VAL . 6.4 p -141.75 168.82 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -88.46 140.98 28.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 14.5 ttpp -40.49 155.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 38.54 37.84 0.58 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.8 -144.71 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -144.43 128.09 17.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.531 HG22 ' CE2' ' A' ' 28' ' ' PHE . 34.5 m -98.16 168.91 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 27' ' ' ARG . 22.8 ttm105 -124.76 127.55 47.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CE2' HG22 ' A' ' 26' ' ' VAL . 62.8 m-85 -137.72 107.41 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.93 154.92 37.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.6 m -146.57 170.9 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -119.42 139.91 51.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -110.92 124.3 51.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.49 -25.75 11.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 2.9 t70 -150.2 140.49 14.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 34' ' ' ASP . 53.9 Cg_endo -69.78 -17.77 37.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -65.64 -34.62 78.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.9 159.54 22.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -111.7 155.78 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 m -118.59 145.77 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -146.01 123.43 11.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -97.12 138.5 34.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.423 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.4 m-85 -137.51 150.55 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -132.2 105.76 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 59.72 37.44 22.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.45 30.02 42.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.94 129.89 42.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 33.0 tt0 -65.05 131.61 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.9 mt -98.08 135.85 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mtp-105 -117.73 151.37 48.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.694 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 116.92 4.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.629 2.219 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' TYR . 1.1 t -154.54 169.07 24.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 48.8 p -35.55 -35.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.172 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' SER . 45.1 tttm -78.3 -44.83 24.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' SER . 69.5 m-85 -102.28 120.39 40.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mm -107.8 111.6 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -94.91 116.71 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 97.7 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.774 0.321 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -141.31 106.57 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -100.58 112.65 25.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.502 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.5 mt -99.52 154.23 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.6 tm? -145.67 128.85 16.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.502 ' CE2' HG21 ' A' ' 64' ' ' ILE . 97.8 m-85 -122.52 134.88 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.3 mt -117.28 119.29 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -91.46 160.43 15.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 65.42 49.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 23' ' ' GLY . 28.7 m -65.38 99.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 1.1 t0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -135.5 168.74 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -83.21 108.16 16.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -96.85 141.7 29.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 36.9 p90 -147.97 128.49 14.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.515 HG12 ' CE1' ' A' ' 10' ' ' PHE . 14.6 p -106.78 144.56 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.3 p -117.41 140.51 49.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.68 110.66 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.99 -107.97 2.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.95 10.54 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -125.93 158.64 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -159.97 151.52 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.44 173.11 12.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 p -142.36 161.58 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -144.65 171.12 14.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -125.72 126.41 44.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.434 HD23 ' CG1' ' A' ' 26' ' ' VAL . 3.3 tm? -98.15 132.74 43.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -123.78 94.27 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -93.17 110.05 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.797 0.332 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 36.9 m-85 -101.84 106.2 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.7 -19.58 62.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -151.92 106.79 3.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 pt -77.56 173.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 6.9 mt -81.94 154.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -57.54 153.5 29.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.828 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -13.29 34.52 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.38 136.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 23.5 m-85 -114.75 161.08 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -140.22 131.35 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.48 HG12 ' CG1' ' A' ' 26' ' ' VAL . 3.9 p -146.14 154.25 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.39 146.29 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -43.6 149.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 41.54 35.83 1.43 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.52 -142.51 10.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.533 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -144.7 124.64 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.48 ' CG1' HG12 ' A' ' 20' ' ' VAL . 4.3 m -94.14 168.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 18' ' ' TYR . 34.5 ttt-85 -128.36 132.66 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' LEU . 48.2 m-85 -142.01 107.49 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 p -132.6 153.25 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.46 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 16.5 m -141.68 161.84 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -111.7 139.41 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD13 ' CG1' ' A' ' 39' ' ' VAL . 18.3 mt -115.11 119.62 37.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.41 -24.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -153.19 143.75 15.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.595 0.712 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -25.24 28.67 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.655 2.236 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -57.17 -36.74 71.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.81 144.57 57.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -93.36 163.56 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' CG1' HD13 ' A' ' 32' ' ' LEU . 29.1 m -134.11 140.71 45.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -141.43 124.15 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -95.1 133.48 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.537 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 94.1 m-85 -130.42 146.34 51.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -130.41 104.41 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.7 t30 66.91 43.18 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.82 35.52 73.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -150.72 116.98 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -46.54 152.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.427 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 79.3 mt -106.33 131.72 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.73 143.0 25.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 118.49 5.71 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 t -152.44 -179.02 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.009 0.433 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 t -55.76 -17.75 6.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -89.18 -43.25 11.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.451 ' CD1' HG12 ' A' ' 67' ' ' ILE . 77.5 m-85 -101.27 114.05 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 mm -97.66 105.24 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -93.07 119.08 31.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.813 0.34 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -147.92 115.99 6.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -105.23 118.86 37.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.634 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 16.8 mt -104.7 152.39 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 1.9 tm? -146.27 128.86 16.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.634 ' CE2' ' CG2' ' A' ' 64' ' ' ILE . 98.4 m-85 -122.5 138.84 54.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.575 ' CD1' ' CE2' ' A' ' 78' ' ' TYR . 83.8 mt -121.71 115.29 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -88.85 166.2 14.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 62.06 49.33 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.8 m -66.42 116.34 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.0 t -136.99 171.52 14.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -94.74 107.49 19.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.575 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 24.5 m-85 -88.2 140.18 29.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 33.8 p90 -144.13 128.49 17.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.88 152.61 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.0 p -125.2 135.86 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.563 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -148.42 108.59 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.91 -114.61 4.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -114.71 13.71 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -128.46 158.8 37.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -161.79 154.35 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -138.1 171.92 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.8 p -143.49 158.18 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 t -142.24 168.19 20.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -123.53 129.86 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 1.3 tm? -98.14 125.79 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -112.58 96.27 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.8 p -97.85 117.68 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -106.1 118.52 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.404 ' HB2' ' CD ' ' A' ' 31' ' ' GLU . . . -78.27 -24.97 46.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -159.99 106.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 pt -74.49 168.19 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 4.7 mp -74.69 170.53 15.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.7 m-20 -70.19 160.01 82.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -13.21 34.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.43 141.44 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 11.6 m-85 -116.27 165.42 13.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -146.49 124.51 12.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG12 ' CG1' ' A' ' 26' ' ' VAL . 7.4 p -140.56 168.72 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -89.98 144.65 25.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -42.84 152.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.23 25.45 0.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -96.36 -144.49 17.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 ttp85 -143.87 128.96 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.469 ' CG1' HG12 ' A' ' 20' ' ' VAL . 31.5 m -100.42 166.71 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 21.0 ttp-105 -125.28 129.16 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 65' ' ' LEU . 37.1 m-85 -138.51 107.45 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.416 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 3.8 p -133.29 148.34 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.455 ' CG1' ' CD1' ' A' ' 14' ' ' LEU . 16.3 m -141.19 152.01 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 11' ' ' ALA . 25.4 tt0 -98.86 157.06 16.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt -130.53 122.97 28.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.97 -29.86 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -151.73 148.38 21.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.0 32.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -59.26 -41.94 90.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.7 154.35 11.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -111.04 147.27 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 m -112.61 149.03 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -148.49 123.69 10.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -96.22 138.63 33.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.477 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 98.4 m-85 -135.66 149.39 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -132.62 101.1 5.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 71.62 37.09 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.81 34.96 46.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -144.49 135.24 24.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 28.3 tt0 -62.03 137.08 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -96.85 129.63 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -99.69 143.21 26.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 125.88 12.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 t -160.78 171.58 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 p -39.9 -29.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -79.7 -47.26 15.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.503 ' CD1' HG12 ' A' ' 67' ' ' ILE . 95.0 m-85 -101.49 118.22 36.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -105.21 115.96 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -100.58 124.21 45.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.416 ' HG2' ' CG2' ' A' ' 29' ' ' VAL . 7.9 tt0 -150.49 112.82 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -101.61 107.3 18.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.9 mt -95.18 154.58 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.554 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 1.4 tm? -148.25 126.47 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' N ' HD11 ' A' ' 65' ' ' LEU . 77.2 m-85 -119.15 132.26 55.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.503 HG12 ' CD1' ' A' ' 54' ' ' TYR . 59.9 mt -118.61 108.5 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -86.07 167.32 15.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 63.3 44.8 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.5 m -67.79 99.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' C ' HG13 ' A' ' 93' ' ' VAL . 5.0 tp-100 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 5.7 p-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -136.63 170.39 16.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.9 125.36 34.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -107.94 141.99 38.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 23.1 p90 -141.45 134.81 29.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.56 147.97 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.6 p -119.64 140.09 51.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.78 110.29 4.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.5 -110.09 3.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -115.35 14.38 16.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -124.55 157.29 35.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -160.96 141.53 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.8 p -129.82 172.51 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.2 p -148.3 154.75 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -139.67 161.98 36.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -113.01 127.13 56.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.463 HD23 ' CG1' ' A' ' 26' ' ' VAL . 3.4 tm? -96.79 131.96 42.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -128.53 94.14 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.417 HG13 ' C ' ' A' ' 71' ' ' GLN . 3.8 p -97.9 112.24 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 82' ' ' ALA . 40.6 m-85 -96.86 118.18 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -30.85 61.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -149.31 111.66 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 pt -78.55 172.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 3.8 mp -84.35 167.31 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.537 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 69.0 m-20 -65.01 151.24 93.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.532 0.682 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -9.69 26.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.1 129.72 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 18.6 m-85 -107.5 165.11 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.418 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 32.3 mt-30 -147.1 124.12 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.461 HG13 ' CG1' ' A' ' 26' ' ' VAL . 3.3 p -144.93 168.71 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.79 147.69 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 3.5 ttmp? -47.67 158.96 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 38.49 33.47 0.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.446 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.56 -144.56 11.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -145.38 125.67 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 20' ' ' VAL . 12.9 m -96.22 166.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.47 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 33.6 ttm180 -126.09 123.53 38.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 65' ' ' LEU . 43.2 m-85 -131.61 107.48 8.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -129.67 141.89 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 28.5 m -134.05 171.46 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -126.93 156.06 42.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 mt -129.94 133.03 46.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -27.8 65.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -152.09 145.12 17.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -10.08 27.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 5.5 pttt -68.81 -29.12 67.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 36' ' ' LYS . 47.3 mt -78.71 143.61 36.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 178.4 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.2 m -143.65 140.91 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -141.39 123.52 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -96.69 133.1 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.511 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.1 m-85 -129.74 148.74 51.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -128.53 99.04 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 72.55 39.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.87 33.76 59.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -141.89 137.22 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.42 129.95 41.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.22 139.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -105.88 142.39 24.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 120.43 7.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.274 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.2 p -158.96 170.9 21.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -38.96 -38.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -68.38 -48.87 63.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.495 ' CD1' HG12 ' A' ' 67' ' ' ILE . 97.2 m-85 -100.51 116.22 31.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.19 105.05 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -92.15 114.09 26.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -133.39 138.69 46.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -126.77 120.0 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.472 HG23 ' CE2' ' A' ' 66' ' ' PHE . 2.9 mp -108.42 156.07 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.476 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.5 tm? -149.19 129.33 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.472 ' CE2' HG23 ' A' ' 64' ' ' ILE . 97.3 m-85 -124.14 129.43 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.495 HG12 ' CD1' ' A' ' 54' ' ' TYR . 62.7 mt -112.55 113.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -87.39 154.41 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 72.08 43.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' GLY . 73.6 m -68.42 103.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.858 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.828 0.347 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 m -131.48 162.14 30.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -79.73 106.78 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -91.31 146.06 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.0 p90 -153.89 132.65 12.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.97 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.412 HG21 ' N ' ' A' ' 81' ' ' THR . 14.0 p -110.32 149.21 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.412 ' N ' HG21 ' A' ' 80' ' ' VAL . 80.5 p -121.32 136.89 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . . . -146.03 108.17 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.046 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.23 -106.4 1.83 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -118.94 8.58 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -123.28 158.88 29.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -165.66 146.65 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.9 t -129.17 172.55 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 p -142.86 150.82 40.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.2 t -135.99 156.29 48.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -110.72 127.93 55.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 92' ' ' PHE . 2.5 tm? -97.02 124.73 41.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.454 ' N ' HD11 ' A' ' 91' ' ' LEU . 51.8 m-85 -116.92 94.24 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -89.09 116.24 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.329 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 82' ' ' ALA . 44.4 m-85 -95.86 111.4 23.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.6 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.98 107.71 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.3 pt -79.6 168.74 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -76.66 171.74 14.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 13.2 m-20 -71.63 157.72 89.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.716 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.84 27.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.72 144.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 8.7 m-85 -123.15 161.24 24.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -149.28 129.18 13.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' CG1' ' A' ' 26' ' ' VAL . 10.0 p -145.57 169.58 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -85.15 153.34 22.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 13.1 ttpp -51.65 153.8 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 39.43 26.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -94.43 -147.17 21.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -144.52 122.16 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.472 ' CG1' HD22 ' A' ' 91' ' ' LEU . 12.9 m -95.04 168.85 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.483 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 54.8 ttp180 -128.7 124.99 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LEU . 38.1 m-85 -131.45 107.93 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 p -125.84 143.5 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.72 165.9 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -124.49 151.6 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -131.43 123.6 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.76 -29.42 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -147.91 141.74 15.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -28.85 24.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -48.44 -35.05 12.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.13 155.14 40.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -103.15 154.35 19.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.57 140.39 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 86.5 mttt -142.24 124.14 15.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.438 ' CH2' ' HB3' ' A' ' 28' ' ' PHE . 70.2 m95 -96.7 136.95 36.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.544 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 60.2 m-85 -131.6 149.51 52.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -131.72 104.95 7.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.1 t30 63.18 45.83 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.39 34.93 86.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -143.41 123.86 13.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.97 130.48 47.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.7 mt -87.71 131.87 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -97.63 142.17 24.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 123.31 9.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -160.14 173.14 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.2 p -45.49 -31.67 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -73.95 -45.97 47.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -101.67 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.12 105.3 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -94.07 115.56 27.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.741 0.305 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -149.33 133.58 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -125.11 114.68 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.76 153.83 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.532 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.4 tm? -146.72 127.61 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.483 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 89.1 m-85 -119.62 134.31 55.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.417 HG13 ' CD1' ' A' ' 65' ' ' LEU . 52.8 mt -118.41 109.38 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -81.95 158.9 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 62.13 52.23 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 23' ' ' GLY . 73.0 m -71.23 102.78 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.421 ' C ' HG11 ' A' ' 93' ' ' VAL . 3.2 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.763 0.316 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 34.5 m -136.71 172.96 12.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.19 129.37 34.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 76' ' ' SER . 51.4 m-85 -111.99 152.35 28.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 41.8 p90 -157.42 129.11 6.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 p -110.6 144.28 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.0 p -115.52 144.22 44.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . . . -153.42 108.95 3.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.92 -112.07 4.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.09 17.46 16.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -137.35 159.51 41.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -161.84 153.27 18.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.38 166.02 22.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.2 p -137.76 147.56 44.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -133.17 173.09 11.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -125.32 141.02 52.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD22 ' CG1' ' A' ' 26' ' ' VAL . 3.2 tm? -113.3 131.83 55.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.46 ' N ' HD11 ' A' ' 91' ' ' LEU . 50.3 m-85 -125.59 92.67 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.421 HG11 ' C ' ' A' ' 71' ' ' GLN . 2.4 p -95.19 118.46 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.803 0.335 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.551 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 32.2 m-85 -108.37 110.63 22.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.98 -30.68 70.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -144.3 107.55 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 pt -79.48 159.95 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 5.6 mt -72.72 139.2 47.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.511 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.1 m-20 -44.22 157.73 0.29 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 110.812 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.73 36.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.05 147.68 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 19.3 m-85 -124.2 165.36 17.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -148.01 126.31 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.472 HG11 ' CG1' ' A' ' 26' ' ' VAL . 8.3 p -141.47 161.88 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -83.27 148.04 27.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 30.7 tttm -42.17 154.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 35.39 35.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -102.52 -145.25 15.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -144.92 122.98 12.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.502 HG23 ' CE2' ' A' ' 28' ' ' PHE . 35.8 m -92.51 167.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.557 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 60.3 ttp180 -126.13 129.52 49.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.502 ' CE2' HG23 ' A' ' 26' ' ' VAL . 60.7 m-85 -140.2 107.5 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 5.8 p -133.86 147.66 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 30.0 m -143.03 148.85 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -100.93 155.93 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -126.87 126.23 42.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.07 -26.85 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -149.66 143.72 17.06 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.633 0.73 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.94 35.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.615 2.21 . . . . 0.0 112.359 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.87 -32.84 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.8 mt -69.03 134.21 49.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -85.47 167.93 15.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.4 m -136.02 139.93 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -143.69 123.86 13.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -93.41 141.79 28.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.526 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 98.0 m-85 -139.93 149.83 43.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -125.36 102.8 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 61.2 32.12 19.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.16 25.86 30.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -126.59 129.54 48.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -66.48 113.54 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 49' ' ' ARG . 61.9 mt -74.87 149.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.402 ' N ' HG23 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -122.29 147.33 49.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.704 . . . . 0.0 110.887 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 115.34 4.04 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.3 m -149.23 167.44 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 p -44.21 -31.97 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -74.65 -38.92 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -105.87 114.39 28.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mm -93.41 103.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -92.95 115.01 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.4 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.453 ' HG2' ' CG2' ' A' ' 29' ' ' VAL . 6.8 tt0 -145.38 130.8 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -113.04 114.04 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.546 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 18.4 mt -99.21 155.22 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.521 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.4 tm? -151.2 129.14 11.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 96.7 m-85 -121.97 137.71 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.54 108.33 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -84.42 163.4 19.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 62.79 46.7 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.3 m -65.02 100.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -132.17 161.21 33.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.65 108.6 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -93.0 136.65 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 42' ' ' TYR . 13.9 p90 -144.52 134.42 23.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 p -113.68 150.25 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 p -121.43 137.54 54.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.551 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -148.54 111.88 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.58 -113.06 4.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -115.95 16.81 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.835 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -131.57 159.74 37.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -165.86 148.98 7.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.68 174.53 10.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -143.12 168.01 20.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -146.93 165.74 28.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -116.34 126.54 53.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 1.9 tm? -96.76 126.3 41.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.446 ' N ' HD13 ' A' ' 91' ' ' LEU . 56.6 m-85 -117.83 99.36 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -96.2 116.65 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.833 0.349 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 82' ' ' ALA . 41.2 m-85 -99.14 119.18 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.07 -33.14 57.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.28 109.75 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -78.27 171.82 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CD1' HG12 ' A' ' 30' ' ' VAL . 3.8 mp -80.61 170.81 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.07 159.75 78.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.729 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.7 26.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.746 2.298 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.95 149.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -124.48 163.96 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -150.21 127.52 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG12 ' CG1' ' A' ' 26' ' ' VAL . 8.0 p -138.73 163.22 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.5 p-10 -81.94 141.23 33.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 55.7 tttt -37.25 148.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 39.76 30.67 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.68 -143.69 15.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -144.77 125.17 13.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.464 ' CG1' HD23 ' A' ' 91' ' ' LEU . 35.0 m -92.94 168.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 72.9 ttp85 -129.05 130.92 47.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -139.22 109.89 6.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -128.06 132.27 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.404 HG12 ' CD1' ' A' ' 14' ' ' LEU . 33.8 m -131.04 152.11 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -108.74 159.07 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD22 ' CG1' ' A' ' 39' ' ' VAL . 3.6 mt -131.07 124.73 31.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.61 -30.16 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 3.2 t70 -145.2 140.93 16.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.76 -17.91 37.31 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -63.44 -40.07 96.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.73 155.66 29.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -111.11 153.28 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.432 ' CG1' HD22 ' A' ' 32' ' ' LEU . 35.5 m -115.9 146.45 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -141.2 123.56 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -96.75 134.48 39.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -132.08 151.21 51.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -132.69 108.45 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 61.62 42.17 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.67 36.07 67.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -141.53 135.64 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.18 128.8 37.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.2 mt -88.21 134.46 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -103.91 145.2 30.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.16 4.44 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 54' ' ' TYR . 2.5 t -152.85 162.21 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' SER . 53.2 p -35.4 -32.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' SER . 76.5 tttt -72.73 -47.17 49.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.492 ' CD1' HG12 ' A' ' 67' ' ' ILE . 99.3 m-85 -101.99 116.58 32.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mm -98.13 102.64 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.152 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -91.49 116.3 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.781 0.325 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -143.48 124.93 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 63' ' ' ARG . 4.6 mmm180 -116.63 119.19 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.85 157.6 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.9 tm? -148.53 128.67 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.454 ' N ' HD12 ' A' ' 65' ' ' LEU . 97.7 m-85 -122.37 131.84 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.492 HG12 ' CD1' ' A' ' 54' ' ' TYR . 65.9 mt -113.53 115.97 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -87.32 162.45 17.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m120 57.3 54.22 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 59.7 m -70.24 99.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 84.7 p -135.94 172.11 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -92.2 106.81 18.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.68 145.77 24.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -147.91 134.99 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.24 139.57 37.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 p -118.08 141.31 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . . . -151.5 111.46 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.41 -108.21 2.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.72 8.89 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -127.75 156.77 41.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -155.86 151.83 27.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.0 t -129.81 172.94 11.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.4 p -145.77 153.06 40.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -142.88 162.45 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' OE1' ' CE2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -110.84 141.61 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.538 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 1.9 tm? -115.6 122.98 47.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.406 ' CE2' ' OE1' ' A' ' 90' ' ' GLU . 49.9 m-85 -113.85 96.9 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.4 p -98.23 114.01 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.453 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.364 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 52.0 m-85 -91.14 115.59 28.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.7 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -147.74 107.95 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 pt -80.69 162.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' CD2' HG11 ' A' ' 30' ' ' VAL . 5.8 mt -71.4 153.22 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.564 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -53.9 155.13 6.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.613 0.72 . . . . 0.0 110.878 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -11.45 30.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.9 131.33 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 36.7 m-85 -109.62 163.38 13.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 49.8 mt-30 -148.53 124.01 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG11 ' CG1' ' A' ' 26' ' ' VAL . 9.8 p -141.59 160.55 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.53 151.19 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 12.5 ttmm -50.9 155.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 39.58 34.66 0.46 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.47 -146.66 14.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -145.08 126.28 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' HG11 ' A' ' 20' ' ' VAL . 20.9 m -94.59 162.47 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 55.6 ttp180 -129.9 108.04 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -107.16 115.93 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.75 140.12 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.425 HG11 ' CD2' ' A' ' 14' ' ' LEU . 6.6 m -142.41 144.16 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -108.06 153.38 23.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -128.32 118.7 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -38.56 -33.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -151.61 144.08 16.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -13.57 34.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.3 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -61.13 -39.62 90.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 9' ' ' ALA . 52.2 mt -69.79 163.96 24.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -109.46 173.43 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.7 152.35 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -153.08 123.78 7.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -95.02 132.54 39.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 89.9 m-85 -127.01 147.37 50.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -133.69 100.35 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 73.15 39.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.5 37.09 68.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -145.98 139.55 26.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.708 0.29 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.22 131.32 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.515 HG23 ' CE2' ' A' ' 54' ' ' TYR . 71.2 mt -88.23 130.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -98.32 143.94 27.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 121.13 7.83 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -159.19 173.55 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.0 m -42.46 -26.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -82.49 -47.24 12.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.515 ' CE2' HG23 ' A' ' 48' ' ' ILE . 78.2 m-85 -101.24 117.62 35.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mm -108.34 113.82 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -96.01 125.06 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -152.23 110.29 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -93.88 120.14 33.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.555 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 8.4 mt -108.38 135.76 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.54 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.1 tm? -131.18 127.37 37.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CE2' ' CG2' ' A' ' 64' ' ' ILE . 97.7 m-85 -118.46 131.52 56.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.436 HG13 ' CD1' ' A' ' 65' ' ' LEU . 87.1 mt -114.82 104.17 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -79.06 156.01 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.1 t30 67.52 50.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' GLY . 84.1 m -72.93 104.84 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.428 ' NE2' ' HG2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.804 0.335 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.1 t -133.41 165.18 25.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -80.29 107.6 13.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -93.69 140.86 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.529 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 32.4 p90 -146.04 131.56 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 81' ' ' THR . 7.7 p -110.79 152.68 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.409 ' N ' HG23 ' A' ' 80' ' ' VAL . 51.7 p -128.97 142.78 50.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.559 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -155.49 117.21 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.48 -113.09 4.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -118.48 19.05 13.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -132.12 166.62 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -164.5 153.41 13.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.7 t -139.58 169.47 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.5 p -143.49 160.05 41.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 t -148.36 167.0 26.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -117.46 133.43 55.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.534 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 2.0 tm? -102.81 126.82 50.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.434 ' N ' HD12 ' A' ' 91' ' ' LEU . 64.6 m-85 -118.92 98.57 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.3 p -93.53 114.46 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.47 ' HB1' ' CD1' ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.805 0.336 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 37.6 m-85 -104.12 108.77 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.66 -24.03 62.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -148.63 108.46 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.1 pt -82.34 167.5 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mt -78.76 152.26 31.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.7 m-20 -55.19 151.31 18.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.89 128.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 22.6 m-85 -107.94 165.58 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -149.29 123.63 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.465 HG11 ' CG1' ' A' ' 26' ' ' VAL . 4.8 p -140.71 165.77 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -86.15 146.61 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.7 tttt -44.04 157.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 36.6 31.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -102.91 -148.36 20.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 15.7 ttp-105 -141.43 128.17 20.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' CG1' HG11 ' A' ' 20' ' ' VAL . 31.5 m -96.15 168.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 20.7 ttp-105 -126.53 126.11 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' LEU . 37.7 m-85 -136.22 107.99 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 p -125.95 136.15 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.3 m -127.08 137.13 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -102.63 138.84 39.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.99 135.27 54.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.06 -23.84 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -156.41 142.27 12.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -16.13 37.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -57.0 -34.56 68.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 33.1 mt -78.26 153.42 31.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -105.6 147.0 28.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.452 HG23 ' NE ' ' A' ' 63' ' ' ARG . 27.9 m -106.89 148.2 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 18.7 mtmt -147.11 123.99 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -96.35 143.97 26.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.532 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.7 m-85 -142.38 146.29 34.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -130.05 102.39 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.8 t30 69.46 41.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.74 35.05 73.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -142.31 136.3 29.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -66.81 132.05 47.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -87.42 140.29 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -110.33 142.05 25.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 117.99 5.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -149.42 178.66 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 t -55.28 -17.27 4.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -90.25 -34.42 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -105.76 122.01 45.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mm -106.04 106.49 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -98.86 121.23 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.744 0.307 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -150.19 129.96 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' NE ' HG23 ' A' ' 39' ' ' VAL . 12.0 mmm180 -120.25 111.08 17.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.549 HG21 ' CE2' ' A' ' 66' ' ' PHE . 2.8 mp -101.34 155.53 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.6 tm? -146.64 128.34 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.549 ' CE2' HG21 ' A' ' 64' ' ' ILE . 98.4 m-85 -124.05 119.35 29.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.7 mt -101.97 118.62 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -92.49 167.0 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 61.24 41.06 13.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 93.3 m -65.04 100.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.798 0.333 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.7 t -134.36 172.82 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.38 135.93 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -123.33 154.48 38.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 32.9 p90 -159.28 135.21 8.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.0 p -114.52 140.48 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.8 p -115.6 144.66 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.614 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -156.19 106.89 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.57 -118.66 5.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.27 19.22 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -134.93 162.26 32.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -165.78 151.25 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.76 166.91 20.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 p -136.94 146.97 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.4 t -139.97 157.51 45.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.41 137.85 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 26' ' ' VAL . 2.9 tm? -105.01 126.9 52.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.455 ' N ' HD13 ' A' ' 91' ' ' LEU . 59.6 m-85 -117.92 96.23 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -98.95 113.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.86 0.362 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 31.3 m-85 -103.25 102.48 12.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.04 68.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -148.23 111.19 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 pt -84.84 172.04 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.7 178.64 8.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.563 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.1 m-20 -80.36 158.41 71.68 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.63 0.729 . . . . 0.0 110.88 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -14.0 35.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.52 133.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 18.4 m-85 -107.96 166.52 10.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -148.07 125.24 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.468 HG11 ' CG1' ' A' ' 26' ' ' VAL . 7.0 p -142.07 164.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -87.87 145.82 25.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 12.6 ttmm -42.02 154.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.42 36.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.99 -143.51 12.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -145.11 122.85 11.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' HG11 ' A' ' 20' ' ' VAL . 24.0 m -94.56 163.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -122.65 125.52 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -135.43 107.39 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -127.36 152.47 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.3 m -142.9 165.91 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -125.32 153.49 43.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD13 ' CG1' ' A' ' 39' ' ' VAL . 3.4 mt -131.28 128.82 40.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.47 -25.35 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -154.88 142.2 13.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.718 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.05 37.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.317 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -55.46 -40.74 71.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.29 157.81 37.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -105.28 168.13 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.422 ' CG1' HD13 ' A' ' 32' ' ' LEU . 34.0 m -128.18 148.81 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -150.06 123.43 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -95.55 132.61 40.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 96.3 m-85 -128.56 141.82 51.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.001 0.429 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -124.77 102.03 7.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 70.03 37.91 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.75 35.21 55.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -144.69 132.51 21.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -62.03 134.81 57.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 49' ' ' ARG . 77.3 mt -91.5 137.92 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' N ' HG23 ' A' ' 48' ' ' ILE . 6.1 ptm180 -100.09 136.84 20.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 122.53 9.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 t -159.96 174.85 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -42.83 -35.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -70.51 -46.46 63.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -101.13 113.87 27.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mm -98.07 106.99 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -96.75 119.12 34.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -148.31 111.75 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -103.73 125.01 49.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.4 mp -108.95 147.14 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -137.09 126.92 25.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -120.38 127.71 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.5 mt -114.08 113.62 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -88.64 157.92 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 67.55 48.77 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLY . 81.7 m -70.17 97.63 1.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -134.72 168.53 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -84.75 125.74 32.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -113.25 143.82 43.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.5 p90 -151.27 127.15 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -106.24 143.54 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.7 p -116.45 135.78 53.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -145.12 106.71 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.36 -113.18 4.16 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.26 18.52 16.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -137.8 157.38 46.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -163.53 157.41 19.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.0 177.81 7.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -144.32 164.83 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -150.78 168.38 24.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -121.9 130.69 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.465 HD23 ' CG1' ' A' ' 26' ' ' VAL . 3.4 tm? -100.05 130.77 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -122.97 93.36 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.6 p -92.58 115.18 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 17.1 m-85 -102.15 105.82 16.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.05 74.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -146.53 127.22 14.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 pt -93.99 152.6 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 2.7 mp -64.47 156.26 30.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.519 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 2.4 m-20 -55.27 152.36 15.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.836 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.94 24.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.78 130.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 19.5 m-85 -111.36 167.0 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -148.55 123.62 10.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG13 ' CG1' ' A' ' 26' ' ' VAL . 5.1 p -140.14 162.9 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -82.71 150.47 26.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 24' ' ' GLY . 30.5 tttp -47.59 156.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.11 32.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -101.12 -144.53 15.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -144.73 124.91 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG1' HD23 ' A' ' 91' ' ' LEU . 15.8 m -94.32 168.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 41.7 ttp180 -131.31 128.54 39.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -135.65 109.45 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -123.88 141.63 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.437 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 34.3 m -143.31 150.34 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -100.8 152.13 20.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 39' ' ' VAL . 7.5 mt -124.25 115.51 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.94 -28.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 68.4 m-20 -153.53 145.89 17.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.0 29.3 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -59.16 -40.24 84.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.68 145.75 48.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -95.51 161.26 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.458 ' CG1' HD22 ' A' ' 32' ' ' LEU . 20.4 m -129.81 140.04 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 17.9 mmtp -140.75 127.97 20.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -100.37 133.26 45.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.552 ' CD2' ' HA ' ' A' ' 47' ' ' GLU . 90.4 m-85 -129.66 152.47 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 43.4 tttt -133.16 100.78 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.3 t30 66.04 45.1 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.96 34.63 71.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -140.25 120.29 13.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.552 ' HA ' ' CD2' ' A' ' 42' ' ' TYR . 20.6 tt0 -56.93 134.53 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.473 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 57.4 mt -96.1 134.92 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -106.67 144.21 28.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 122.19 8.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -157.43 -177.51 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 t -51.89 -21.64 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -87.3 -46.47 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.507 ' CD1' HG12 ' A' ' 67' ' ' ILE . 94.4 m-85 -100.63 118.66 37.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mm -101.53 106.1 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -93.23 115.73 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -147.12 108.11 4.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -102.97 114.62 29.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.458 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 3.7 mp -101.22 153.83 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.524 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 1.3 tm? -144.17 126.57 15.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.493 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 96.5 m-85 -121.27 134.8 55.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 54' ' ' TYR . 50.9 mt -117.84 118.4 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -90.78 160.96 15.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 62.3 51.83 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' GLY . 71.9 m -69.8 101.04 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -136.4 173.5 11.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.56 107.27 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' A' ' 43' ' ' LYS . 36.6 m-85 -97.2 151.86 19.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.517 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.2 p90 -157.95 134.99 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 81' ' ' THR . 10.8 p -108.68 147.33 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.104 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.404 ' N ' HG21 ' A' ' 80' ' ' VAL . 75.6 p -122.18 136.2 54.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -148.95 109.47 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.57 -110.73 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -119.31 20.66 12.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -132.85 161.85 33.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -162.37 146.61 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.2 p -131.08 158.03 41.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.5 p -132.92 155.3 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.1 t -143.39 170.41 15.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -122.04 124.68 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.463 HD23 ' CG1' ' A' ' 26' ' ' VAL . 3.4 tm? -97.76 134.26 41.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -124.69 95.45 4.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.4 p -91.85 114.48 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 45.7 m-85 -92.95 105.79 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.07 65.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -152.88 109.29 3.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -82.43 158.57 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.79 147.89 52.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.569 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.3 m-20 -49.45 161.1 0.51 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -15.18 36.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.45 134.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 29.1 m-85 -110.35 162.15 14.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 54.1 mt-30 -148.44 126.75 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.442 HG13 ' CG1' ' A' ' 26' ' ' VAL . 6.3 p -138.64 158.46 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -78.94 143.82 35.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 11.2 ttmt -43.81 152.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 42.23 34.01 1.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.31 -144.44 11.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.513 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 16.2 ttm105 -144.7 127.0 15.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 91' ' ' LEU . 10.0 m -93.61 159.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -127.27 114.01 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -116.42 108.52 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.9 t -108.29 142.84 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 m -142.99 135.88 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -99.53 160.66 14.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 HD21 ' CG1' ' A' ' 39' ' ' VAL . 3.7 mt -138.71 129.67 26.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.15 -25.07 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -149.87 143.28 16.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.566 0.698 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -29.36 24.22 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -56.34 -29.0 60.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 13.5 mt -65.03 153.42 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -111.14 145.64 38.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.459 ' CG1' HD21 ' A' ' 32' ' ' LEU . 18.5 m -111.86 145.41 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -145.11 123.48 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -97.32 128.48 44.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.536 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.1 m-85 -126.08 150.83 47.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -129.76 102.38 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 m120 64.04 33.46 12.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.93 25.48 40.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -127.83 134.71 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.01 126.87 30.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -90.13 134.9 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -107.77 143.61 27.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.688 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 118.95 5.99 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.334 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 54' ' ' TYR . 20.9 p -149.2 173.18 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.7 m -40.92 -31.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -79.41 -40.6 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' SER . 72.3 m-85 -102.09 113.98 27.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.5 mm -101.3 102.68 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -85.5 116.68 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.76 0.314 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -146.78 142.95 28.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -130.08 120.86 25.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -111.75 153.62 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.9 tm? -139.35 127.6 22.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' N ' HD11 ' A' ' 65' ' ' LEU . 94.2 m-85 -118.03 139.96 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.5 mt -127.57 100.43 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -74.32 158.4 34.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 65.63 50.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' GLY . 86.7 m -69.9 100.5 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.876 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.464 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -136.37 170.85 15.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -82.23 132.17 35.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CE1' ' O ' ' A' ' 76' ' ' SER . 61.0 m-85 -123.05 143.13 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 20.2 p90 -148.45 125.97 11.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 p -104.99 145.6 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.6 p -121.32 136.36 54.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.598 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -147.21 110.46 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.96 -109.04 2.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -121.36 20.76 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.74 0.305 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -138.63 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 87' ' ' CYS . 0.2 OUTLIER -164.28 168.36 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 15.1 p -149.07 136.9 20.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.0 m -114.66 157.45 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -146.87 170.57 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -122.8 127.96 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.45 HD21 ' CG1' ' A' ' 26' ' ' VAL . 3.2 tm? -97.24 136.31 37.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -128.66 93.47 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.6 p -92.67 108.51 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.777 0.322 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.516 ' CZ ' ' HB1' ' A' ' 82' ' ' ALA . 23.8 m-85 -95.95 109.68 22.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.01 -31.36 72.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -149.54 107.73 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.431 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 2.5 pp -77.34 149.37 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 5.3 mp -48.75 145.31 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.2 m-20 -45.58 159.83 0.29 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -16.01 37.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.16 133.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 42.5 m-85 -107.61 157.74 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -143.12 126.06 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG13 ' CG1' ' A' ' 26' ' ' VAL . 5.5 p -143.13 161.55 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.158 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -79.36 150.75 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' GLY . 18.3 ttpp -47.27 156.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 34.22 38.87 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.479 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.66 -146.95 13.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -141.96 127.85 19.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.473 ' CG1' HG13 ' A' ' 20' ' ' VAL . 5.4 m -96.66 168.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.471 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 70.9 ttp85 -136.81 108.1 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -107.66 112.54 25.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -112.26 142.57 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 m -145.73 135.7 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -101.85 145.97 28.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.416 HD13 ' CG1' ' A' ' 39' ' ' VAL . 4.2 mt -120.39 121.53 38.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.28 -35.36 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -143.66 143.89 25.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -25.99 28.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -54.05 -43.55 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.91 145.91 54.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 39' ' ' VAL . 4.8 tp10 -96.61 157.25 15.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 28.4 m -121.1 141.23 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 13.7 mtmm -137.93 126.88 24.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -99.5 135.8 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 47' ' ' GLU . 94.7 m-85 -135.9 150.38 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -133.65 105.62 6.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 66.53 40.48 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' HG3' ' A' ' 46' ' ' GLN . . . 68.67 38.35 85.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.4 ' HG3' ' C ' ' A' ' 45' ' ' GLY . 31.6 mt-30 -145.97 114.57 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 25.1 tt0 -48.16 141.87 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.465 HG21 ' CE2' ' A' ' 54' ' ' TYR . 77.2 mt -101.48 138.3 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' N ' HG23 ' A' ' 48' ' ' ILE . 12.7 ptt180 -104.13 143.3 26.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.03 4.37 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -156.81 174.46 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.8 m -40.84 -36.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -73.07 -47.02 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CE2' HG21 ' A' ' 48' ' ' ILE . 71.3 m-85 -103.02 114.0 27.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 mm -102.73 101.48 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -89.26 119.41 29.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -140.73 105.9 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.437 ' HG3' ' CG2' ' A' ' 39' ' ' VAL . 19.5 mmt180 -92.49 121.16 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.546 HG23 ' CE2' ' A' ' 66' ' ' PHE . 9.8 mt -106.74 141.34 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 1.4 tm? -131.88 126.36 34.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.546 ' CE2' HG23 ' A' ' 64' ' ' ILE . 97.4 m-85 -117.58 130.97 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.495 ' CD1' ' CE2' ' A' ' 78' ' ' TYR . 72.7 mt -117.1 110.64 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -86.52 152.97 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.7 t30 72.76 51.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 77.7 m -73.3 108.55 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' C ' HG11 ' A' ' 93' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.474 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.841 0.353 . . . . 0.0 110.852 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 m -136.99 171.41 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -91.18 107.31 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 35.0 m-85 -87.06 153.58 21.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 19.1 p90 -158.51 123.13 4.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 81' ' ' THR . 14.8 p -103.52 148.79 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.466 ' N ' HG22 ' A' ' 80' ' ' VAL . 57.4 p -122.66 131.92 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.516 ' HB1' ' CZ ' ' A' ' 10' ' ' PHE . . . -133.79 98.84 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.78 -114.26 4.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -107.97 30.56 6.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -148.34 171.88 15.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -163.09 168.25 21.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.3 m -128.0 -174.97 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 p -163.68 143.49 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.2 t -148.69 165.81 30.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -119.89 129.43 54.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.433 HD21 ' CG1' ' A' ' 26' ' ' VAL . 3.5 tm? -96.16 126.45 41.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -122.21 93.14 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.419 HG11 ' C ' ' A' ' 71' ' ' GLN . 2.5 p -94.6 116.33 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.767 0.318 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CZ ' HG11 ' A' ' 80' ' ' VAL . 17.7 m-85 -97.85 114.6 26.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . . . -69.42 -28.68 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -152.21 107.01 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 pt -73.61 150.73 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.56 145.29 19.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.416 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -50.5 156.88 1.38 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -13.55 34.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.06 137.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 7.7 m-85 -108.74 164.27 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -147.35 119.1 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.452 HG11 ' CG1' ' A' ' 26' ' ' VAL . 6.1 p -143.76 158.6 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.75 150.61 34.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' GLY . 20.9 ttpt -47.0 153.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.36 34.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -99.45 -143.98 15.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -144.12 120.62 11.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.452 ' CG1' HG11 ' A' ' 20' ' ' VAL . 34.0 m -92.98 168.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -139.3 108.02 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -104.94 108.49 20.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 30' ' ' VAL . 98.0 t -104.93 139.8 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' N ' HG12 ' A' ' 29' ' ' VAL . 26.8 m -144.05 141.6 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -107.87 153.58 22.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -127.95 134.35 49.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.99 -31.38 60.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -153.97 143.71 15.29 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.655 0.741 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.47 16.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.73 2.287 . . . . 0.0 112.376 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.55 -33.2 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.62 162.2 29.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -106.4 169.76 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 63' ' ' ARG . 16.6 m -139.89 139.54 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 43.2 mttt -144.3 124.02 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.413 ' C ' HD11 ' A' ' 48' ' ' ILE . 51.1 m95 -96.32 132.31 41.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 95.5 m-85 -127.87 149.33 50.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -132.08 105.96 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.9 m120 64.94 42.37 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.7 35.75 74.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -140.94 121.31 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 42' ' ' TYR . 49.2 tt0 -57.05 129.32 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.413 HD11 ' C ' ' A' ' 41' ' ' TRP . 23.8 mt -92.4 143.12 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.66 147.11 39.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 119.29 6.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.396 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' THR . 31.9 p -157.74 171.71 19.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' SER . 24.5 p -35.87 -38.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.157 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -74.91 -49.48 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -102.88 114.49 28.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mm -102.36 107.31 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -88.93 115.59 26.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.767 0.318 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -147.11 109.14 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.453 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -97.57 105.93 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.98 151.12 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -138.35 127.69 24.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -115.8 125.41 52.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.3 mt -112.14 109.26 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -86.8 159.61 19.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 65.71 39.08 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' GLY . 92.1 m -61.75 99.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.5 m -136.72 173.17 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -89.95 107.02 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -89.28 147.51 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 34.8 p90 -148.85 128.92 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 ' CZ ' ' A' ' 10' ' ' PHE . 8.2 p -107.74 145.64 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.1 p -121.12 132.86 55.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -134.8 99.67 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.28 -113.1 4.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.18 26.03 11.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -142.86 159.67 41.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -166.16 151.04 8.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 18.8 p -131.14 172.53 12.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 m -138.74 157.63 45.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 t -150.41 164.08 36.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -114.44 134.92 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 92' ' ' PHE . 2.4 tm? -104.43 121.46 43.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.468 ' N ' HD23 ' A' ' 91' ' ' LEU . 56.7 m-85 -113.14 93.38 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -95.11 111.94 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.443 ' CE1' HG13 ' A' ' 80' ' ' VAL . 44.6 m-85 -106.74 110.3 22.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.27 -26.87 47.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 108.73 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.3 pt -82.09 175.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 3.6 mp -85.85 155.17 21.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.11 153.8 6.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.72 21.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.284 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.04 128.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -107.45 161.06 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -144.13 128.52 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.462 HG13 ' CG1' ' A' ' 26' ' ' VAL . 4.3 p -144.11 165.14 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.6 155.82 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -54.66 154.51 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 41.33 28.75 0.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.17 -145.96 17.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -145.96 128.83 16.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 20' ' ' VAL . 20.3 m -94.56 168.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 27.5 ttm180 -133.46 121.65 22.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -122.58 107.99 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 30' ' ' VAL . 45.7 t -108.02 140.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.461 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 25.3 m -148.27 136.63 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -102.93 162.54 12.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 mt -132.08 127.75 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.04 -20.35 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -158.56 144.44 12.35 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.35 24.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.262 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -58.2 -24.39 58.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -74.55 140.59 44.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -89.54 164.53 14.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 m -136.5 143.57 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 23.3 mmtp -144.73 125.3 14.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -96.37 135.11 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 93.7 m-85 -135.31 149.64 49.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -129.6 112.71 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 55.93 29.69 14.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.32 28.38 27.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.07 122.76 36.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 44.0 tt0 -63.3 115.43 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.6 mt -85.39 137.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 153.83 48.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 121.07 7.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.384 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' TYR . 3.9 m -160.18 169.46 23.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 74.6 m -37.92 -37.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -75.48 -43.32 49.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' SER . 57.6 m-85 -103.49 113.95 27.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mm -98.56 103.65 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -89.63 116.14 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.4 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.761 0.315 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' OE1' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -145.96 132.25 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -117.61 129.58 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 65' ' ' LEU . 3.9 mp -111.32 150.36 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.422 ' CD1' HG13 ' A' ' 67' ' ' ILE . 3.3 tm? -134.4 128.97 34.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.493 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 78.1 m-85 -119.32 128.05 53.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' CD1' ' A' ' 65' ' ' LEU . 50.4 mt -116.17 113.2 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -90.91 156.9 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 74.96 42.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 94.2 m -65.92 102.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.415 ' C ' HG11 ' A' ' 93' ' ' VAL . 6.0 tp-100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.486 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -137.13 170.49 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.25 132.6 34.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -115.05 144.03 44.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 28.4 p90 -153.13 123.02 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.443 HG13 ' CE1' ' A' ' 10' ' ' PHE . 14.1 p -101.75 145.18 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.9 p -117.72 143.23 46.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.408 ' HB1' ' CE2' ' A' ' 10' ' ' PHE . . . -155.87 113.77 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.26 -109.99 2.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -120.83 12.07 11.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -129.71 167.62 17.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -166.07 152.35 9.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 13.1 p -126.06 169.43 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 p -142.0 158.64 43.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 t -150.77 165.26 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -118.02 130.94 56.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.43 HD22 ' CG1' ' A' ' 26' ' ' VAL . 3.2 tm? -97.12 129.69 44.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -122.77 96.56 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.415 HG11 ' C ' ' A' ' 71' ' ' GLN . 2.3 p -95.97 122.38 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 12.8 mtp-105 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.526 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 61.1 m-85 -94.72 125.24 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.9 -22.83 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -153.48 107.49 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.6 pt -79.18 166.71 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 4.2 mp -80.22 155.05 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 61.8 m-20 -54.32 153.16 10.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.722 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -8.91 24.81 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.71 134.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 22.1 m-85 -111.83 165.87 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -147.13 125.46 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.461 HG11 ' CG1' ' A' ' 26' ' ' VAL . 4.7 p -145.05 161.49 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -82.49 156.87 23.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.2 ttmt -51.17 152.31 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 36.02 35.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -99.35 -141.48 12.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -143.5 124.8 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.464 ' CG2' ' HB ' ' A' ' 67' ' ' ILE . 6.8 m -99.62 164.64 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.497 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 25.7 ttm180 -129.33 128.27 42.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -136.18 107.6 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -123.43 152.53 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' N ' ' CG2' ' A' ' 29' ' ' VAL . 8.1 m -148.76 143.43 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -99.29 160.01 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD22 ' CG1' ' A' ' 39' ' ' VAL . 4.3 mt -134.36 132.88 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.57 -32.72 67.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -147.22 143.58 18.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.93 37.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -63.35 -34.54 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.25 155.04 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.02 153.69 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG1' HD22 ' A' ' 32' ' ' LEU . 30.1 m -118.28 146.76 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 21.0 mmtp -149.21 123.5 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -96.3 128.15 42.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 98.6 m-85 -125.56 144.31 50.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -128.51 109.87 11.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.5 m120 62.93 35.26 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.87 36.83 40.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -144.86 141.04 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -68.83 136.72 53.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mt -96.15 131.08 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -104.36 143.89 27.59 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.9 12.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 t -155.05 178.59 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 t -49.69 -18.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HE2' ' CE2' ' A' ' 54' ' ' TYR . 28.5 ttpt -91.94 -41.78 10.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.508 ' CE2' ' HE2' ' A' ' 53' ' ' LYS . 73.5 m-85 -100.87 113.92 27.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.599 ' CD1' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -106.26 101.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.547 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 30.8 m-85 -87.54 132.42 34.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -138.83 143.83 39.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -127.31 112.77 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.68 151.24 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 2.6 tm? -146.48 128.42 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.497 ' CE2' ' HG3' ' A' ' 27' ' ' ARG . 86.9 m-85 -119.57 139.17 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.464 ' HB ' ' CG2' ' A' ' 26' ' ' VAL . 31.6 mt -120.16 102.24 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -76.87 159.39 30.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 64.63 51.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' GLY . 77.6 m -73.69 98.09 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.904 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 m -136.52 171.97 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -87.42 130.85 34.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -119.61 142.9 47.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 27.2 p90 -150.55 130.6 13.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.466 HG21 ' N ' ' A' ' 81' ' ' THR . 8.4 p -110.8 144.92 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.466 ' N ' HG21 ' A' ' 80' ' ' VAL . 57.8 p -114.13 145.14 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.526 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -158.8 107.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.44 -121.76 9.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -108.77 30.03 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.693 0.283 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -144.46 166.07 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -165.78 146.98 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.5 p -126.65 178.52 5.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.6 p -153.15 154.68 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 t -144.16 174.52 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -130.55 127.24 38.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 2.2 tm? -97.97 122.91 41.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -112.7 96.17 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.1 p -93.19 122.18 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.844 0.354 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CE1' HG13 ' A' ' 80' ' ' VAL . 48.4 m-85 -100.22 119.88 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.1 -22.12 31.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -152.3 106.91 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -78.42 152.56 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 6.4 mt -59.87 144.16 49.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.532 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.9 m-20 -46.13 160.44 0.3 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 110.824 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -19.4 36.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.01 137.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 28.9 m-85 -109.22 172.01 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -150.57 122.16 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG12 ' CG1' ' A' ' 26' ' ' VAL . 10.0 p -139.58 169.58 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -89.38 139.84 30.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 20.1 ttpt -39.22 159.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 36.41 36.59 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.51 -148.45 11.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -144.5 123.76 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.475 ' CG1' HD21 ' A' ' 91' ' ' LEU . 24.3 m -95.21 169.03 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.562 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 27.0 ttt85 -130.26 120.53 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.475 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 23.2 m-85 -122.33 107.42 12.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.49 146.18 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 19.6 m -141.09 155.05 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -103.47 158.18 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD23 ' CG1' ' A' ' 39' ' ' VAL . 4.1 mt -131.18 133.13 45.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -19.12 65.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -154.73 141.53 13.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -27.4 26.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -63.18 -27.48 69.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.4 mt -67.28 132.77 48.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 169.44 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.452 HG23 ' NE ' ' A' ' 63' ' ' ARG . 16.0 m -139.36 143.15 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 2.0 mtmp? -145.92 125.04 12.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -95.79 135.28 37.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 67.8 m-85 -126.92 157.66 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.552 ' HD3' ' CE2' ' A' ' 78' ' ' TYR . 20.2 tptp -133.64 135.4 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.3 t30 39.14 25.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . 87.94 35.04 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' LYS . 25.3 mt-30 -148.53 121.68 8.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.311 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -43.0 146.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 49' ' ' ARG . 75.3 mt -107.08 139.93 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' N ' HG21 ' A' ' 48' ' ' ILE . 37.4 mtt85 -103.7 140.0 20.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 113.65 3.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' TYR . 35.2 m -147.39 169.03 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.6 m -43.38 -30.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -71.87 -38.54 70.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' SER . 85.3 m-85 -106.69 122.94 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.0 mm -98.8 102.25 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -91.7 118.5 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -168.61 137.1 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' NE ' HG23 ' A' ' 39' ' ' VAL . 22.3 mmt180 -131.92 130.65 41.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.529 HG22 ' CE1' ' A' ' 66' ' ' PHE . 2.1 mp -119.57 151.44 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.563 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -147.09 131.42 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 27' ' ' ARG . 33.0 m-85 -119.68 147.96 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.475 ' CD1' ' CE2' ' A' ' 28' ' ' PHE . 3.8 mp -126.72 114.1 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -85.69 159.29 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.28 43.38 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.4 m -66.91 96.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.465 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 8.9 p-10 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.412 ' HB2' ' CE ' ' A' ' 43' ' ' LYS . 1.6 m -136.76 172.0 13.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -92.55 109.48 20.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.552 ' CE2' ' HD3' ' A' ' 43' ' ' LYS . 18.2 m-85 -89.9 148.1 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 42' ' ' TYR . 46.6 p90 -142.66 132.12 23.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.457 HG13 ' CE1' ' A' ' 10' ' ' PHE . 10.6 p -108.75 155.43 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.8 p -125.02 145.0 50.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -155.71 107.65 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.58 -109.73 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.35 18.42 14.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -133.41 166.95 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -164.96 146.27 7.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 23.4 p -124.06 171.65 9.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.5 p -148.6 153.4 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.1 t -141.06 160.84 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -112.23 127.96 56.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.475 HD21 ' CG1' ' A' ' 26' ' ' VAL . 3.2 tm? -96.11 133.41 40.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -128.15 96.14 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.428 ' CG2' ' HA ' ' A' ' 22' ' ' LYS . 6.5 p -100.15 109.87 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.858 0.361 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 73.8 m-85 -93.78 120.27 33.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.89 -34.74 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -133.07 89.44 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.5 pt -68.63 165.06 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.85 136.19 46.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.8 m-20 -38.93 156.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.655 0.74 . . . . 0.0 110.843 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -14.21 35.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.07 135.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 27.6 m-85 -112.44 162.29 15.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.411 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 56.3 mt-30 -150.62 120.38 7.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.462 HG12 ' CG1' ' A' ' 26' ' ' VAL . 8.6 p -136.44 167.81 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -85.93 143.32 28.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.8 OUTLIER -42.27 156.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.82 29.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -100.53 -147.74 21.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -143.16 123.39 13.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 67' ' ' ILE . 9.9 m -95.28 155.67 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -121.19 118.75 30.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -119.11 107.86 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.1 137.34 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.9 m -134.97 125.93 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -97.73 142.99 28.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD23 ' CE1' ' A' ' 10' ' ' PHE . 4.1 mt -118.02 131.27 56.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.7 -18.68 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.4 OUTLIER -140.79 127.68 11.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.13 31.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -59.65 -43.34 93.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.65 142.72 57.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -95.13 170.32 9.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG1' HD13 ' A' ' 32' ' ' LEU . 23.8 m -125.36 151.67 31.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -148.11 124.22 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -97.14 135.15 39.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 97.0 m-85 -133.6 155.52 49.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -132.62 98.99 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 61.99 43.23 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.27 32.0 56.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -137.2 120.53 16.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.74 0.305 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -57.5 135.91 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.6 mt -97.65 135.62 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -110.65 147.35 36.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.01 6.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.8 p -148.3 -175.13 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 t -56.72 -20.84 24.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' HE2' ' CG2' ' A' ' 67' ' ' ILE . 41.1 tttt -91.12 -40.01 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -102.54 120.54 40.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mm -110.69 111.54 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -94.65 114.36 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.905 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.757 0.313 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -152.3 105.38 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.43 ' HG3' ' CG2' ' A' ' 39' ' ' VAL . 30.1 mmt180 -99.76 112.81 25.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.54 144.7 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.45 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.7 tm? -132.05 128.1 37.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.411 ' N ' HD11 ' A' ' 65' ' ' LEU . 70.7 m-85 -114.79 131.65 56.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.467 ' HB ' ' CG2' ' A' ' 26' ' ' VAL . 67.6 mt -119.77 105.43 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -85.22 168.07 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 62.24 40.97 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 23' ' ' GLY . 99.7 m -59.43 97.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.795 0.331 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 2.3 m -136.47 162.82 32.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -79.28 109.13 13.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 76' ' ' SER . 23.9 m-85 -95.23 144.59 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 42' ' ' TYR . 26.1 p90 -146.25 133.45 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.969 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -110.35 138.9 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.3 p -114.17 135.75 53.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -145.82 107.92 4.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.7 -109.75 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -117.57 10.5 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -129.39 159.38 36.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -161.77 165.8 27.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 2.6 m -151.5 154.18 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.1 p -126.0 155.18 41.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.6 t -134.83 169.49 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.587 ' OE1' ' CD2' ' A' ' 92' ' ' PHE . 5.8 tm-20 -114.65 138.18 51.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.439 HD22 ' CG1' ' A' ' 26' ' ' VAL . 3.0 tm? -112.8 125.37 54.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.587 ' CD2' ' OE1' ' A' ' 90' ' ' GLU . 51.3 m-85 -122.81 93.46 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 22' ' ' LYS . 1.5 p -89.75 110.5 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -39.58 -61.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.809 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -143.95 116.1 8.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.45 -162.75 10.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 p -93.18 42.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -112.75 95.08 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.2 56.28 2.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.527 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.05 123.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.39 -40.27 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.539 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 35.7 m-85 -92.65 114.88 27.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.3 -29.74 65.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -149.89 110.07 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.406 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 2.8 pp -77.3 163.36 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 5.5 mt -70.43 152.51 43.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.1 m-20 -53.87 155.77 5.72 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.85 33.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.67 131.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 23.8 m-85 -108.16 166.48 10.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -150.26 126.66 10.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.462 HG12 ' CG1' ' A' ' 26' ' ' VAL . 5.8 p -144.05 164.14 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -81.59 155.69 25.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' GLY . 21.3 ttpp -53.47 158.3 1.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.96 30.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -101.27 -146.8 19.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -145.93 127.37 15.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 20' ' ' VAL . 28.0 m -93.24 165.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.525 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 52.3 ttp180 -128.92 113.81 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -116.45 110.11 18.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 30' ' ' VAL . 49.9 t -116.76 142.73 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.403 ' N ' HG12 ' A' ' 29' ' ' VAL . 21.0 m -144.21 142.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.97 149.54 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.71 132.2 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.27 -30.51 50.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.55 143.51 16.12 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -21.55 33.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -53.53 -40.56 65.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.82 159.64 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -112.17 145.91 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.66 144.73 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 21.9 mtmt -143.3 126.64 16.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -99.48 138.59 36.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.54 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 99.2 m-85 -137.55 145.74 43.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -127.47 104.49 7.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 64.76 43.34 4.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.85 35.77 80.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -141.95 120.76 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.733 0.301 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.514 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 53.9 tt0 -57.3 130.3 45.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 49' ' ' ARG . 57.6 mt -90.04 136.66 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' N ' HG21 ' A' ' 48' ' ' ILE . 62.2 mtt180 -103.3 143.38 26.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 115.62 4.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' TYR . 4.3 t -152.98 168.58 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' SER . 35.1 p -36.8 -39.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -70.35 -43.98 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 51' ' ' SER . 78.8 m-85 -101.25 114.65 28.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mm -101.32 105.57 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -93.37 114.59 27.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -117.14 123.74 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 15.8 p-80 -111.77 124.11 51.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.11 104.97 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.47 -102.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.5 m -118.08 41.41 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.745 0.307 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -142.04 139.63 32.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -126.95 113.78 16.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.402 HG22 ' CE2' ' A' ' 66' ' ' PHE . 2.1 mp -103.95 149.14 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.539 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.3 tm? -140.49 128.52 22.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.525 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 97.0 m-85 -119.21 134.09 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.447 HG13 ' CD1' ' A' ' 65' ' ' LEU . 53.2 mt -119.62 108.86 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.184 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -84.58 159.82 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 69.67 41.17 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLY . 83.1 m -67.58 102.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' C ' HG13 ' A' ' 93' ' ' VAL . 12.7 tp-100 -109.78 154.62 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.7 ttm -46.01 -37.58 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -72.73 -33.43 66.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -61.24 -36.38 79.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 1.1 t0 -39.99 101.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.41 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 5.1 m -136.51 170.27 16.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -81.33 138.89 35.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CE1' ' O ' ' A' ' 76' ' ' SER . 76.2 m-85 -125.93 140.2 52.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 26.5 p90 -147.75 125.98 12.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.973 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.67 142.73 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.4 p -115.95 142.61 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -152.91 111.7 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.14 -115.67 5.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.91 27.4 9.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -144.95 162.87 35.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -164.38 153.14 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.0 p -131.39 173.72 10.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.0 p -143.99 156.36 44.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -147.75 168.86 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -122.35 131.22 53.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 92' ' ' PHE . 3.1 tm? -97.32 131.75 43.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.445 ' N ' HD12 ' A' ' 91' ' ' LEU . 54.1 m-85 -121.26 96.37 5.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.403 HG13 ' C ' ' A' ' 71' ' ' GLN . 5.2 p -101.06 121.5 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -79.26 169.87 17.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.2 m -160.6 120.51 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.74 163.85 36.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 175.37 8.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.731 2.287 . . . . 0.0 112.384 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 m -124.49 -57.74 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.6 m -126.58 165.35 19.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.519 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -94.18 87.59 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -89.01 41.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.82 154.28 6.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 m -157.98 142.86 16.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -145.74 138.74 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.98 72.65 0.98 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.45 95.6 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.55 -42.89 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 42.5 m-85 -99.01 109.28 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -33.41 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -143.37 105.07 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 pt -73.56 160.03 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' CD2' ' CG1' ' A' ' 30' ' ' VAL . 6.7 mt -66.38 140.41 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.568 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -41.82 154.06 0.26 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.555 0.693 . . . . 0.0 110.858 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.13 25.35 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.82 139.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 16.4 m-85 -117.52 164.22 15.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -148.51 124.28 10.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG12 ' CG1' ' A' ' 26' ' ' VAL . 3.5 p -140.18 163.8 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.16 155.16 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' GLY . 4.8 ttpm? -51.94 154.72 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.48 30.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.422 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -100.81 -148.74 22.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -140.71 126.49 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 ' CG1' HD21 ' A' ' 91' ' ' LEU . 16.8 m -92.52 162.19 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -128.77 118.56 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -119.33 112.59 19.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.6 t -112.32 140.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.438 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 28.9 m -145.25 132.08 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -97.87 155.67 16.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD21 ' CG1' ' A' ' 39' ' ' VAL . 5.2 mt -129.19 127.85 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.27 -30.13 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -151.42 142.92 15.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -17.61 37.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -63.57 -29.2 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 mt -78.16 136.85 37.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -84.75 178.87 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' A' ' 32' ' ' LEU . 29.2 m -145.42 151.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -150.16 124.71 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -96.77 134.88 39.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.429 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 86.9 m-85 -128.33 150.69 49.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -132.35 96.52 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 72.75 37.91 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.53 33.52 47.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -142.54 134.43 27.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -67.59 134.46 51.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -93.96 140.96 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -110.17 143.65 28.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 121.67 8.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 t -157.59 -179.95 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -49.43 -19.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -90.24 -47.81 7.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -100.86 120.3 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mm -108.76 112.74 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -100.51 120.57 40.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -120.04 165.28 14.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -133.21 110.52 10.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -126.46 85.82 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.45 96.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.553 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.7 m 39.49 32.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 3.6 tt0 -134.18 104.12 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 mmt-85 -91.89 119.03 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.547 HG23 ' CE2' ' A' ' 66' ' ' PHE . 17.2 mt -109.15 139.2 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.426 ' CD1' HG13 ' A' ' 67' ' ' ILE . 3.3 tm? -128.58 128.76 44.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.547 ' CE2' HG23 ' A' ' 64' ' ' ILE . 95.4 m-85 -117.48 129.85 56.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 65' ' ' LEU . 50.0 mt -116.54 112.48 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -85.47 167.42 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 61.65 44.55 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' GLY . 93.2 m -67.18 97.47 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.0 tp-100 -113.52 167.08 10.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.0 mmt -42.33 -26.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.829 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.5 p -76.7 -38.89 53.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 76' ' ' SER . 9.0 t70 -52.32 -38.82 59.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -49.57 87.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 74' ' ' ASP . 28.3 p -136.46 165.32 26.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -85.72 107.09 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 76' ' ' SER . 15.3 m-85 -97.21 145.11 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 20.5 p90 -149.6 131.03 14.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 p -103.15 161.65 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.0 p -131.77 141.4 49.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -150.57 112.52 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.17 -103.49 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.43 8.43 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -119.42 159.91 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -161.44 146.65 13.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 t -134.56 166.11 23.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.8 t -135.56 169.58 17.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.2 t -150.74 173.31 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.92 123.8 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.461 HD21 ' CG1' ' A' ' 26' ' ' VAL . 2.9 tm? -97.11 132.96 42.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -125.37 95.68 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.6 p -93.27 121.72 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.6 mtp85 -80.17 166.79 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.0 p -112.68 103.95 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.5 145.57 48.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.6 21.1 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.316 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 t -131.29 161.93 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.2 m -72.53 -57.02 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 1' ' ' GLY . 53.1 p 37.57 44.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 m -39.62 128.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.36 -121.82 2.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t 62.23 49.95 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 m -106.61 164.21 12.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.5 -63.38 0.62 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.32 38.09 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.43 -26.75 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CE1' HG12 ' A' ' 80' ' ' VAL . 32.4 m-85 -102.5 106.5 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.48 -32.34 73.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -146.24 105.45 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.28 162.58 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt -69.02 149.4 48.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.552 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 14.3 m-20 -50.02 156.37 1.35 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -10.07 27.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 0.0 112.389 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.67 144.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.552 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 26.9 m-85 -122.17 162.36 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -147.3 126.22 12.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.475 HG12 ' CG1' ' A' ' 26' ' ' VAL . 6.4 p -141.75 168.82 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -88.46 140.98 28.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 14.5 ttpp -40.49 155.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 38.54 37.84 0.58 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.8 -144.71 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -144.43 128.09 17.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.531 HG22 ' CE2' ' A' ' 28' ' ' PHE . 34.5 m -98.16 168.91 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 27' ' ' ARG . 22.8 ttm105 -124.76 127.55 47.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CE2' HG22 ' A' ' 26' ' ' VAL . 62.8 m-85 -137.72 107.41 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.93 154.92 37.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.6 m -146.57 170.9 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -119.42 139.91 51.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -110.92 124.3 51.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.49 -25.75 11.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 2.9 t70 -150.2 140.49 14.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 34' ' ' ASP . 53.9 Cg_endo -69.78 -17.77 37.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -65.64 -34.62 78.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.9 159.54 22.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -111.7 155.78 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 m -118.59 145.77 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -146.01 123.43 11.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -97.12 138.5 34.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.423 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.4 m-85 -137.51 150.55 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -132.2 105.76 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 59.72 37.44 22.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.45 30.02 42.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.94 129.89 42.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 33.0 tt0 -65.05 131.61 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.9 mt -98.08 135.85 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mtp-105 -117.73 151.37 48.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.694 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 116.92 4.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.629 2.219 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' TYR . 1.1 t -154.54 169.07 24.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 48.8 p -35.55 -35.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.172 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' SER . 45.1 tttm -78.3 -44.83 24.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' SER . 69.5 m-85 -102.28 120.39 40.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mm -107.8 111.6 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -94.91 116.71 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -130.22 113.28 14.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 10.8 p-80 -102.72 124.21 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -134.48 87.63 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 56.1 102.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 60' ' ' GLY . 97.7 m 34.45 36.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 60' ' ' GLY . 4.7 tt0 -141.31 106.57 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -100.58 112.65 25.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.502 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.5 mt -99.52 154.23 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.6 tm? -145.67 128.85 16.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.502 ' CE2' HG21 ' A' ' 64' ' ' ILE . 97.8 m-85 -122.52 134.88 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.3 mt -117.28 119.29 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -91.46 160.43 15.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 65.42 49.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 23' ' ' GLY . 28.7 m -65.38 99.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.68 159.65 19.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.5 mmt -42.36 -44.28 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -60.74 -38.09 83.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 76' ' ' SER . 11.9 t0 -53.66 -45.7 70.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 1.1 t0 -42.88 91.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ASP . 4.2 m -135.5 168.74 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -83.21 108.16 16.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -96.85 141.7 29.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 36.9 p90 -147.97 128.49 14.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.515 HG12 ' CE1' ' A' ' 10' ' ' PHE . 14.6 p -106.78 144.56 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.3 p -117.41 140.51 49.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.68 110.66 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.99 -107.97 2.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.95 10.54 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -125.93 158.64 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -159.97 151.52 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.44 173.11 12.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 p -142.36 161.58 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -144.65 171.12 14.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -125.72 126.41 44.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.434 HD23 ' CG1' ' A' ' 26' ' ' VAL . 3.3 tm? -98.15 132.74 43.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -123.78 94.27 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -93.17 110.05 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.35 176.99 8.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 m -139.64 116.53 10.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.79 -160.21 25.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -14.16 35.76 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.283 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.3 m -43.61 104.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.1 m -55.79 141.89 36.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -88.62 88.83 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -147.79 150.44 34.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.26 75.99 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -122.21 -44.3 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -121.3 136.48 54.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.32 129.98 1.15 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.02 105.55 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.58 -28.82 11.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 36.9 m-85 -101.84 106.2 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.7 -19.58 62.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -151.92 106.79 3.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 pt -77.56 173.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 6.9 mt -81.94 154.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -57.54 153.5 29.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.828 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -13.29 34.52 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.38 136.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 23.5 m-85 -114.75 161.08 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -140.22 131.35 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.48 HG12 ' CG1' ' A' ' 26' ' ' VAL . 3.9 p -146.14 154.25 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.39 146.29 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -43.6 149.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 41.54 35.83 1.43 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.52 -142.51 10.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.533 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -144.7 124.64 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.48 ' CG1' HG12 ' A' ' 20' ' ' VAL . 4.3 m -94.14 168.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 18' ' ' TYR . 34.5 ttt-85 -128.36 132.66 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' LEU . 48.2 m-85 -142.01 107.49 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 p -132.6 153.25 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.46 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 16.5 m -141.68 161.84 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -111.7 139.41 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD13 ' CG1' ' A' ' 39' ' ' VAL . 18.3 mt -115.11 119.62 37.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.41 -24.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -153.19 143.75 15.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.595 0.712 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -25.24 28.67 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.655 2.236 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -57.17 -36.74 71.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.81 144.57 57.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -93.36 163.56 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' CG1' HD13 ' A' ' 32' ' ' LEU . 29.1 m -134.11 140.71 45.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -141.43 124.15 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -95.1 133.48 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.537 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 94.1 m-85 -130.42 146.34 51.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -130.41 104.41 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.7 t30 66.91 43.18 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.82 35.52 73.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -150.72 116.98 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -46.54 152.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.427 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 79.3 mt -106.33 131.72 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.73 143.0 25.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 118.49 5.71 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 t -152.44 -179.02 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.009 0.433 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 t -55.76 -17.75 6.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -89.18 -43.25 11.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.451 ' CD1' HG12 ' A' ' 67' ' ' ILE . 77.5 m-85 -101.27 114.05 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 mm -97.66 105.24 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -93.07 119.08 31.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -126.89 160.48 30.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -141.43 119.41 11.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -133.45 88.22 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 51.9 102.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 60' ' ' GLY . 61.0 m 34.9 43.88 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -147.92 115.99 6.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -105.23 118.86 37.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.634 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 16.8 mt -104.7 152.39 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 1.9 tm? -146.27 128.86 16.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.634 ' CE2' ' CG2' ' A' ' 64' ' ' ILE . 98.4 m-85 -122.5 138.84 54.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.575 ' CD1' ' CE2' ' A' ' 78' ' ' TYR . 83.8 mt -121.71 115.29 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -88.85 166.2 14.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 62.06 49.33 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.8 m -66.42 116.34 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.1 161.11 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.401 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -56.73 -66.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.2 t -53.93 -24.02 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.73 -36.19 70.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -42.12 113.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.0 t -136.99 171.52 14.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -94.74 107.49 19.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.575 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 24.5 m-85 -88.2 140.18 29.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 33.8 p90 -144.13 128.49 17.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.88 152.61 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.0 p -125.2 135.86 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.563 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -148.42 108.59 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.91 -114.61 4.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -114.71 13.71 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -128.46 158.8 37.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -161.79 154.35 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -138.1 171.92 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.8 p -143.49 158.18 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 t -142.24 168.19 20.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -123.53 129.86 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 1.3 tm? -98.14 125.79 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -112.58 96.27 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.8 p -97.85 117.68 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -89.17 162.89 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.4 t -105.88 -45.86 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.88 141.71 10.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -5.62 16.64 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.9 p -146.69 165.31 29.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -159.7 123.58 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -86.18 105.8 16.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -117.19 105.58 12.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.58 -87.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -74.42 112.5 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.39 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -92.78 106.84 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.68 39.35 1.0 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.59 123.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.81 -37.02 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -106.1 118.52 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.404 ' HB2' ' CD ' ' A' ' 31' ' ' GLU . . . -78.27 -24.97 46.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -159.99 106.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 pt -74.49 168.19 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 4.7 mp -74.69 170.53 15.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.7 m-20 -70.19 160.01 82.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -13.21 34.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.43 141.44 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 11.6 m-85 -116.27 165.42 13.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -146.49 124.51 12.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG12 ' CG1' ' A' ' 26' ' ' VAL . 7.4 p -140.56 168.72 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -89.98 144.65 25.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -42.84 152.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.23 25.45 0.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -96.36 -144.49 17.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 ttp85 -143.87 128.96 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.469 ' CG1' HG12 ' A' ' 20' ' ' VAL . 31.5 m -100.42 166.71 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 21.0 ttp-105 -125.28 129.16 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 65' ' ' LEU . 37.1 m-85 -138.51 107.45 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.416 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 3.8 p -133.29 148.34 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.455 ' CG1' ' CD1' ' A' ' 14' ' ' LEU . 16.3 m -141.19 152.01 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 11' ' ' ALA . 25.4 tt0 -98.86 157.06 16.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt -130.53 122.97 28.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.97 -29.86 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -151.73 148.38 21.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.0 32.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -59.26 -41.94 90.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.7 154.35 11.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -111.04 147.27 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 m -112.61 149.03 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -148.49 123.69 10.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -96.22 138.63 33.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.477 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 98.4 m-85 -135.66 149.39 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -132.62 101.1 5.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 71.62 37.09 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.81 34.96 46.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -144.49 135.24 24.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 28.3 tt0 -62.03 137.08 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -96.85 129.63 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -99.69 143.21 26.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 125.88 12.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 t -160.78 171.58 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 p -39.9 -29.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -79.7 -47.26 15.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.503 ' CD1' HG12 ' A' ' 67' ' ' ILE . 95.0 m-85 -101.49 118.22 36.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -105.21 115.96 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -100.58 124.21 45.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -133.06 136.48 45.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -112.53 120.83 42.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 60' ' ' GLY . 5.2 mmmm -128.78 93.22 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 59' ' ' LYS . . . 37.05 90.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 79.4 m 51.78 45.97 27.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.416 ' HG2' ' CG2' ' A' ' 29' ' ' VAL . 7.9 tt0 -150.49 112.82 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -101.61 107.3 18.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.9 mt -95.18 154.58 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.554 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 1.4 tm? -148.25 126.47 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' N ' HD11 ' A' ' 65' ' ' LEU . 77.2 m-85 -119.15 132.26 55.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.503 HG12 ' CD1' ' A' ' 54' ' ' TYR . 59.9 mt -118.61 108.5 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -86.07 167.32 15.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 63.3 44.8 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.5 m -67.79 99.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' C ' HG13 ' A' ' 93' ' ' VAL . 5.0 tp-100 -96.89 149.18 22.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.401 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 38.9 tpp -54.79 -26.58 35.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.1 p -84.97 -28.6 25.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -72.03 -34.02 68.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 5.7 p-10 -37.57 103.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -136.63 170.39 16.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.9 125.36 34.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -107.94 141.99 38.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 23.1 p90 -141.45 134.81 29.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.56 147.97 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.6 p -119.64 140.09 51.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.78 110.29 4.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.5 -110.09 3.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -115.35 14.38 16.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -124.55 157.29 35.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -160.96 141.53 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.8 p -129.82 172.51 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.2 p -148.3 154.75 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -139.67 161.98 36.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -113.01 127.13 56.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.463 HD23 ' CG1' ' A' ' 26' ' ' VAL . 3.4 tm? -96.79 131.96 42.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -128.53 94.14 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.417 HG13 ' C ' ' A' ' 71' ' ' GLN . 3.8 p -97.9 112.24 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -71.71 141.66 49.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.0 t -137.73 107.72 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -128.33 147.64 17.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 139.21 39.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.0 p -146.71 171.73 14.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 m -163.98 140.66 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -54.81 122.36 10.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t -163.26 152.78 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.1 131.28 0.48 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -48.63 124.17 7.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.38 . . . . 0.0 110.85 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -94.48 87.14 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.75 73.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.61 116.5 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.327 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.02 -36.06 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 82' ' ' ALA . 40.6 m-85 -96.86 118.18 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -30.85 61.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -149.31 111.66 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 pt -78.55 172.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 3.8 mp -84.35 167.31 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.537 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 69.0 m-20 -65.01 151.24 93.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.532 0.682 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -9.69 26.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.1 129.72 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 18.6 m-85 -107.5 165.11 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.418 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 32.3 mt-30 -147.1 124.12 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG13 ' CG1' ' A' ' 26' ' ' VAL . 3.3 p -144.93 168.71 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.79 147.69 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 3.5 ttmp? -47.67 158.96 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 38.49 33.47 0.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.446 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.56 -144.56 11.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -145.38 125.67 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 20' ' ' VAL . 12.9 m -96.22 166.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.47 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 33.6 ttm180 -126.09 123.53 38.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 65' ' ' LEU . 43.2 m-85 -131.61 107.48 8.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -129.67 141.89 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 28.5 m -134.05 171.46 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -126.93 156.06 42.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 mt -129.94 133.03 46.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -27.8 65.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -152.09 145.12 17.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -10.08 27.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 5.5 pttt -68.81 -29.12 67.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 36' ' ' LYS . 47.3 mt -78.71 143.61 36.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 178.4 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.2 m -143.65 140.91 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -141.39 123.52 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -96.69 133.1 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.511 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.1 m-85 -129.74 148.74 51.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -128.53 99.04 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 72.55 39.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.87 33.76 59.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -141.89 137.22 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.42 129.95 41.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.22 139.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -105.88 142.39 24.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 120.43 7.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.274 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.2 p -158.96 170.9 21.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -38.96 -38.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -68.38 -48.87 63.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.495 ' CD1' HG12 ' A' ' 67' ' ' ILE . 97.2 m-85 -100.51 116.22 31.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.19 105.05 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -92.15 114.09 26.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -121.58 113.88 20.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 63' ' ' ARG . 2.3 t60 -105.62 124.71 50.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -137.3 105.28 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.4 -104.92 0.41 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.3 m -115.1 32.36 6.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -133.39 138.69 46.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 22.4 mmt-85 -126.77 120.0 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.472 HG23 ' CE2' ' A' ' 66' ' ' PHE . 2.9 mp -108.42 156.07 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.476 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.5 tm? -149.19 129.33 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.472 ' CE2' HG23 ' A' ' 64' ' ' ILE . 97.3 m-85 -124.14 129.43 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.495 HG12 ' CD1' ' A' ' 54' ' ' TYR . 62.7 mt -112.55 113.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -87.39 154.41 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 72.08 43.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' GLY . 73.6 m -68.42 103.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 74' ' ' ASP . 4.0 tt0 -120.88 165.36 15.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.2 tpp -46.66 -33.7 4.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -73.41 -29.28 62.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 76' ' ' SER . 4.6 m-20 -71.51 -37.4 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.08 91.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ASP . 26.5 m -131.48 162.14 30.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -79.73 106.78 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -91.31 146.06 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.0 p90 -153.89 132.65 12.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.97 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.412 HG21 ' N ' ' A' ' 81' ' ' THR . 14.0 p -110.32 149.21 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.412 ' N ' HG21 ' A' ' 80' ' ' VAL . 80.5 p -121.32 136.89 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . . . -146.03 108.17 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.046 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.23 -106.4 1.83 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -118.94 8.58 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -123.28 158.88 29.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -165.66 146.65 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.9 t -129.17 172.55 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 p -142.86 150.82 40.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.2 t -135.99 156.29 48.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -110.72 127.93 55.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 92' ' ' PHE . 2.5 tm? -97.02 124.73 41.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.454 ' N ' HD11 ' A' ' 91' ' ' LEU . 51.8 m-85 -116.92 94.24 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -89.09 116.24 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -66.98 169.32 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.8 p -94.49 42.93 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.49 144.59 25.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.434 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 98' ' ' SER . 54.0 Cg_endo -69.72 -22.4 32.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 97' ' ' PRO . 16.1 t -34.54 118.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.1 t -117.8 164.52 14.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 t -129.73 102.43 6.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 p -101.07 -55.79 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.78 -129.64 1.88 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 t -113.45 128.36 56.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -133.63 140.85 47.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.34 -29.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.94 106.9 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.95 -30.13 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 82' ' ' ALA . 44.4 m-85 -95.86 111.4 23.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.6 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.98 107.71 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.3 pt -79.6 168.74 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -76.66 171.74 14.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 13.2 m-20 -71.63 157.72 89.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.716 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.84 27.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.72 144.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 8.7 m-85 -123.15 161.24 24.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -149.28 129.18 13.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' CG1' ' A' ' 26' ' ' VAL . 10.0 p -145.57 169.58 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -85.15 153.34 22.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 13.1 ttpp -51.65 153.8 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 39.43 26.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -94.43 -147.17 21.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -144.52 122.16 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.472 ' CG1' HD22 ' A' ' 91' ' ' LEU . 12.9 m -95.04 168.85 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.483 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 54.8 ttp180 -128.7 124.99 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LEU . 38.1 m-85 -131.45 107.93 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 p -125.84 143.5 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.72 165.9 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -124.49 151.6 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -131.43 123.6 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.76 -29.42 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -147.91 141.74 15.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -28.85 24.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -48.44 -35.05 12.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.13 155.14 40.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -103.15 154.35 19.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.57 140.39 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 86.5 mttt -142.24 124.14 15.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.438 ' CH2' ' HB3' ' A' ' 28' ' ' PHE . 70.2 m95 -96.7 136.95 36.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.544 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 60.2 m-85 -131.6 149.51 52.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -131.72 104.95 7.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.1 t30 63.18 45.83 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.39 34.93 86.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -143.41 123.86 13.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.97 130.48 47.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.7 mt -87.71 131.87 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -97.63 142.17 24.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 123.31 9.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -160.14 173.14 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.2 p -45.49 -31.67 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -73.95 -45.97 47.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -101.67 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.12 105.3 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -94.07 115.56 27.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -123.93 117.14 24.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -103.34 124.35 48.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -131.29 86.16 2.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.13 -105.37 0.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.3 p -105.7 39.62 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.741 0.305 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -149.33 133.58 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -125.11 114.68 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.76 153.83 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.532 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.4 tm? -146.72 127.61 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.483 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 89.1 m-85 -119.62 134.31 55.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.417 HG13 ' CD1' ' A' ' 65' ' ' LEU . 52.8 mt -118.41 109.38 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -81.95 158.9 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 62.13 52.23 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 23' ' ' GLY . 73.0 m -71.23 102.78 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.421 ' C ' HG11 ' A' ' 93' ' ' VAL . 3.2 tt0 -121.82 166.1 14.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.3 mmt -48.82 -34.68 12.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 p -69.38 -27.21 65.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -84.7 -21.86 29.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -61.7 91.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 34.5 m -136.71 172.96 12.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.19 129.37 34.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 76' ' ' SER . 51.4 m-85 -111.99 152.35 28.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 41.8 p90 -157.42 129.11 6.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 p -110.6 144.28 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.0 p -115.52 144.22 44.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . . . -153.42 108.95 3.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.92 -112.07 4.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.09 17.46 16.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -137.35 159.51 41.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -161.84 153.27 18.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.38 166.02 22.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.2 p -137.76 147.56 44.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -133.17 173.09 11.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -125.32 141.02 52.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD22 ' CG1' ' A' ' 26' ' ' VAL . 3.2 tm? -113.3 131.83 55.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.46 ' N ' HD11 ' A' ' 91' ' ' LEU . 50.3 m-85 -125.59 92.67 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.421 HG11 ' C ' ' A' ' 71' ' ' GLN . 2.4 p -95.19 118.46 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -75.55 168.85 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.3 t -157.33 117.08 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.4 -155.89 14.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 100.47 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -95.16 -53.38 3.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 m -101.66 104.45 15.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.449 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -67.85 164.21 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -80.48 -46.14 16.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.43 46.01 1.23 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -49.26 -49.5 43.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -126.99 148.93 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.15 -72.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.434 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.04 39.03 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.22 -24.09 25.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.551 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 32.2 m-85 -108.37 110.63 22.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.98 -30.68 70.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -144.3 107.55 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 pt -79.48 159.95 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 5.6 mt -72.72 139.2 47.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.511 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.1 m-20 -44.22 157.73 0.29 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 110.812 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.73 36.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.05 147.68 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 19.3 m-85 -124.2 165.36 17.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -148.01 126.31 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.472 HG11 ' CG1' ' A' ' 26' ' ' VAL . 8.3 p -141.47 161.88 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -83.27 148.04 27.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 30.7 tttm -42.17 154.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 35.39 35.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -102.52 -145.25 15.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -144.92 122.98 12.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.502 HG23 ' CE2' ' A' ' 28' ' ' PHE . 35.8 m -92.51 167.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.557 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 60.3 ttp180 -126.13 129.52 49.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.502 ' CE2' HG23 ' A' ' 26' ' ' VAL . 60.7 m-85 -140.2 107.5 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 5.8 p -133.86 147.66 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 30.0 m -143.03 148.85 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -100.93 155.93 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -126.87 126.23 42.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.07 -26.85 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -149.66 143.72 17.06 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.633 0.73 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.94 35.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.615 2.21 . . . . 0.0 112.359 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.87 -32.84 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.8 mt -69.03 134.21 49.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -85.47 167.93 15.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.4 m -136.02 139.93 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -143.69 123.86 13.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -93.41 141.79 28.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.526 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 98.0 m-85 -139.93 149.83 43.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -125.36 102.8 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 61.2 32.12 19.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.16 25.86 30.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -126.59 129.54 48.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -66.48 113.54 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 49' ' ' ARG . 61.9 mt -74.87 149.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.402 ' N ' HG23 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -122.29 147.33 49.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.704 . . . . 0.0 110.887 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 115.34 4.04 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.3 m -149.23 167.44 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 p -44.21 -31.97 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -74.65 -38.92 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -105.87 114.39 28.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mm -93.41 103.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -92.95 115.01 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -122.77 145.48 48.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.5 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 1.1 t-160 -140.2 111.49 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.72 87.62 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.05 -108.1 2.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.4 m -113.74 41.84 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.453 ' HG2' ' CG2' ' A' ' 29' ' ' VAL . 6.8 tt0 -145.38 130.8 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -113.04 114.04 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.546 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 18.4 mt -99.21 155.22 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.521 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.4 tm? -151.2 129.14 11.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 96.7 m-85 -121.97 137.71 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.54 108.33 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -84.42 163.4 19.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 62.79 46.7 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.3 m -65.02 100.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.17 159.99 15.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -44.54 53.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.3 p -66.93 -37.27 84.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' SER . 1.1 m-20 -52.51 -43.56 65.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -36.89 95.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 74' ' ' ASP . 3.0 m -132.17 161.21 33.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.65 108.6 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -93.0 136.65 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 42' ' ' TYR . 13.9 p90 -144.52 134.42 23.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 p -113.68 150.25 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 p -121.43 137.54 54.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.551 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -148.54 111.88 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.58 -113.06 4.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -115.95 16.81 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.835 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -131.57 159.74 37.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -165.86 148.98 7.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.68 174.53 10.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -143.12 168.01 20.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -146.93 165.74 28.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -116.34 126.54 53.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 1.9 tm? -96.76 126.3 41.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.446 ' N ' HD13 ' A' ' 91' ' ' LEU . 56.6 m-85 -117.83 99.36 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -96.2 116.65 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' SER . 32.3 mtp85 -53.28 -15.58 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' ARG . 29.1 t 36.66 33.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.46 ' N ' ' HB2' ' A' ' 22' ' ' LYS . . . -132.82 142.3 13.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.95 16.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.367 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -151.14 147.03 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.3 m -81.73 106.92 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 t -133.29 125.14 28.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -123.12 97.36 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.22 131.1 1.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -133.87 -42.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.357 . . . . 0.0 110.834 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -113.17 -52.61 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.12 104.31 1.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.67 112.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.87 -23.89 9.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 82' ' ' ALA . 41.2 m-85 -99.14 119.18 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.07 -33.14 57.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.28 109.75 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -78.27 171.82 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CD1' HG12 ' A' ' 30' ' ' VAL . 3.8 mp -80.61 170.81 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.07 159.75 78.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.729 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.7 26.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.746 2.298 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.95 149.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -124.48 163.96 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -150.21 127.52 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG12 ' CG1' ' A' ' 26' ' ' VAL . 8.0 p -138.73 163.22 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.5 p-10 -81.94 141.23 33.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 55.7 tttt -37.25 148.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 39.76 30.67 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.68 -143.69 15.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -144.77 125.17 13.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.464 ' CG1' HD23 ' A' ' 91' ' ' LEU . 35.0 m -92.94 168.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 72.9 ttp85 -129.05 130.92 47.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -139.22 109.89 6.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -128.06 132.27 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.404 HG12 ' CD1' ' A' ' 14' ' ' LEU . 33.8 m -131.04 152.11 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -108.74 159.07 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 HD22 ' CG1' ' A' ' 39' ' ' VAL . 3.6 mt -131.07 124.73 31.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.61 -30.16 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 3.2 t70 -145.2 140.93 16.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.76 -17.91 37.31 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -63.44 -40.07 96.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.73 155.66 29.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -111.11 153.28 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.432 ' CG1' HD22 ' A' ' 32' ' ' LEU . 35.5 m -115.9 146.45 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -141.2 123.56 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -96.75 134.48 39.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -132.08 151.21 51.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -132.69 108.45 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 61.62 42.17 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.67 36.07 67.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -141.53 135.64 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.18 128.8 37.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.2 mt -88.21 134.46 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -103.91 145.2 30.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.16 4.44 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 54' ' ' TYR . 2.5 t -152.85 162.21 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' SER . 53.2 p -35.4 -32.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' SER . 76.5 tttt -72.73 -47.17 49.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.492 ' CD1' HG12 ' A' ' 67' ' ' ILE . 99.3 m-85 -101.99 116.58 32.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mm -98.13 102.64 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.152 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -91.49 116.3 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -124.14 118.64 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.412 ' CD2' ' HD3' ' A' ' 63' ' ' ARG . 5.4 t-80 -111.25 122.3 47.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -130.92 94.14 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.58 -96.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.9 m -121.77 38.28 4.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.325 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -143.48 124.93 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 63' ' ' ARG . 4.6 mmm180 -116.63 119.19 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.85 157.6 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.9 tm? -148.53 128.67 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.454 ' N ' HD12 ' A' ' 65' ' ' LEU . 97.7 m-85 -122.37 131.84 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.492 HG12 ' CD1' ' A' ' 54' ' ' TYR . 65.9 mt -113.53 115.97 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -87.32 162.45 17.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m120 57.3 54.22 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 59.7 m -70.24 99.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -110.4 168.88 9.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.4 tpt -42.11 -58.96 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.3 p -48.71 -29.73 4.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 76' ' ' SER . 12.9 t70 -60.43 -43.6 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.2 OUTLIER -47.94 89.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 74' ' ' ASP . 84.7 p -135.94 172.11 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -92.2 106.81 18.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.68 145.77 24.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -147.91 134.99 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.24 139.57 37.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 p -118.08 141.31 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . . . -151.5 111.46 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.41 -108.21 2.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.72 8.89 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -127.75 156.77 41.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -155.86 151.83 27.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.0 t -129.81 172.94 11.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.4 p -145.77 153.06 40.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -142.88 162.45 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' OE1' ' CE2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -110.84 141.61 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.538 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 1.9 tm? -115.6 122.98 47.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.406 ' CE2' ' OE1' ' A' ' 90' ' ' GLU . 49.9 m-85 -113.85 96.9 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.4 p -98.23 114.01 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -58.02 157.75 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.5 p -113.07 -51.03 2.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -40.2 145.89 0.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 123.68 10.33 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.3 m -135.44 167.92 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.4 m -57.37 126.29 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.904 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -68.4 138.46 55.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 m -155.84 148.46 23.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.27 160.96 20.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -47.59 130.27 14.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -84.01 42.94 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.94 -87.3 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.73 47.61 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.453 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -64.71 -32.26 73.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 52.0 m-85 -91.14 115.59 28.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.7 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -147.74 107.95 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 pt -80.69 162.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' CD2' HG11 ' A' ' 30' ' ' VAL . 5.8 mt -71.4 153.22 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.564 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -53.9 155.13 6.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.613 0.72 . . . . 0.0 110.878 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -11.45 30.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.9 131.33 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 36.7 m-85 -109.62 163.38 13.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 49.8 mt-30 -148.53 124.01 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG11 ' CG1' ' A' ' 26' ' ' VAL . 9.8 p -141.59 160.55 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.53 151.19 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 12.5 ttmm -50.9 155.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 39.58 34.66 0.46 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.47 -146.66 14.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -145.08 126.28 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' HG11 ' A' ' 20' ' ' VAL . 20.9 m -94.59 162.47 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 55.6 ttp180 -129.9 108.04 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -107.16 115.93 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.75 140.12 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.425 HG11 ' CD2' ' A' ' 14' ' ' LEU . 6.6 m -142.41 144.16 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -108.06 153.38 23.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -128.32 118.7 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -38.56 -33.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -151.61 144.08 16.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -13.57 34.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.3 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -61.13 -39.62 90.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 9' ' ' ALA . 52.2 mt -69.79 163.96 24.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -109.46 173.43 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.7 152.35 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -153.08 123.78 7.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -95.02 132.54 39.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 89.9 m-85 -127.01 147.37 50.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -133.69 100.35 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 73.15 39.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.5 37.09 68.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -145.98 139.55 26.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.708 0.29 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.22 131.32 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.515 HG23 ' CE2' ' A' ' 54' ' ' TYR . 71.2 mt -88.23 130.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -98.32 143.94 27.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 121.13 7.83 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -159.19 173.55 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.0 m -42.46 -26.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -82.49 -47.24 12.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.515 ' CE2' HG23 ' A' ' 48' ' ' ILE . 78.2 m-85 -101.24 117.62 35.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mm -108.34 113.82 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -96.01 125.06 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -138.49 124.46 20.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -104.59 117.33 33.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HA ' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -126.28 87.17 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 52.2 100.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.52 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 60' ' ' GLY . 1.1 p 34.46 46.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -152.23 110.29 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -93.88 120.14 33.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.555 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 8.4 mt -108.38 135.76 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.54 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.1 tm? -131.18 127.37 37.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CE2' ' CG2' ' A' ' 64' ' ' ILE . 97.7 m-85 -118.46 131.52 56.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.436 HG13 ' CD1' ' A' ' 65' ' ' LEU . 87.1 mt -114.82 104.17 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -79.06 156.01 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.1 t30 67.52 50.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' GLY . 84.1 m -72.93 104.84 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' NE2' ' HG2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -111.73 157.97 19.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.6 mmt -46.05 -32.48 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.2 p -72.15 -41.08 67.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' SER . 24.3 m-20 -55.21 -43.18 74.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -36.95 93.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' ASP . 9.1 t -133.41 165.18 25.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -80.29 107.6 13.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -93.69 140.86 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.529 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 32.4 p90 -146.04 131.56 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 81' ' ' THR . 7.7 p -110.79 152.68 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.409 ' N ' HG23 ' A' ' 80' ' ' VAL . 51.7 p -128.97 142.78 50.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.559 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -155.49 117.21 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.48 -113.09 4.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -118.48 19.05 13.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -132.12 166.62 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -164.5 153.41 13.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.7 t -139.58 169.47 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.5 p -143.49 160.05 41.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 t -148.36 167.0 26.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -117.46 133.43 55.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.534 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 2.0 tm? -102.81 126.82 50.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.434 ' N ' HD12 ' A' ' 91' ' ' LEU . 64.6 m-85 -118.92 98.57 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.3 p -93.53 114.46 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -71.28 -177.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 p -111.97 120.36 41.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -133.19 163.96 24.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -174.12 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.2 m -155.35 148.88 25.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -130.85 125.77 34.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -136.75 143.35 43.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -43.5 -54.94 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.57 -58.56 1.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 t -102.14 44.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p -121.14 142.35 49.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.77 -122.11 2.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.31 113.45 2.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.47 ' HB1' ' CD1' ' A' ' 37' ' ' LEU . . . -98.94 -28.64 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 37.6 m-85 -104.12 108.77 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.66 -24.03 62.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -148.63 108.46 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.1 pt -82.34 167.5 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mt -78.76 152.26 31.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.7 m-20 -55.19 151.31 18.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.89 128.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 22.6 m-85 -107.94 165.58 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -149.29 123.63 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG11 ' CG1' ' A' ' 26' ' ' VAL . 4.8 p -140.71 165.77 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -86.15 146.61 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.7 tttt -44.04 157.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 36.6 31.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -102.91 -148.36 20.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 15.7 ttp-105 -141.43 128.17 20.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.465 ' CG1' HG11 ' A' ' 20' ' ' VAL . 31.5 m -96.15 168.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 20.7 ttp-105 -126.53 126.11 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' LEU . 37.7 m-85 -136.22 107.99 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 p -125.95 136.15 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.3 m -127.08 137.13 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -102.63 138.84 39.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.99 135.27 54.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.06 -23.84 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -156.41 142.27 12.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -16.13 37.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -57.0 -34.56 68.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 33.1 mt -78.26 153.42 31.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -105.6 147.0 28.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.452 HG23 ' NE ' ' A' ' 63' ' ' ARG . 27.9 m -106.89 148.2 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 18.7 mtmt -147.11 123.99 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -96.35 143.97 26.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.532 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.7 m-85 -142.38 146.29 34.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -130.05 102.39 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.8 t30 69.46 41.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.74 35.05 73.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -142.31 136.3 29.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -66.81 132.05 47.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -87.42 140.29 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -110.33 142.05 25.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 117.99 5.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -149.42 178.66 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 t -55.28 -17.27 4.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -90.25 -34.42 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -105.76 122.01 45.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mm -106.04 106.49 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -98.86 121.23 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -125.19 163.28 22.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -135.63 124.67 24.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' HB3' ' NE2' ' A' ' 62' ' ' GLN . 20.6 ttmm -131.21 86.26 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 37.08 91.78 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.7 m 57.7 42.91 22.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 59' ' ' LYS . 5.4 tt0 -150.19 129.96 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' NE ' HG23 ' A' ' 39' ' ' VAL . 12.0 mmm180 -120.25 111.08 17.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.549 HG21 ' CE2' ' A' ' 66' ' ' PHE . 2.8 mp -101.34 155.53 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.6 tm? -146.64 128.34 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.549 ' CE2' HG21 ' A' ' 64' ' ' ILE . 98.4 m-85 -124.05 119.35 29.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.7 mt -101.97 118.62 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -92.49 167.0 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 61.24 41.06 13.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 93.3 m -65.04 100.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.09 152.29 21.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.401 ' O ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -45.39 -38.37 5.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.6 p -69.23 -41.63 76.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -51.02 -42.0 60.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' ASP . 0.9 OUTLIER -34.46 96.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' ASP . 8.7 t -134.36 172.82 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.38 135.93 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -123.33 154.48 38.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 32.9 p90 -159.28 135.21 8.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.0 p -114.52 140.48 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.8 p -115.6 144.66 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.614 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -156.19 106.89 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.57 -118.66 5.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.27 19.22 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -134.93 162.26 32.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -165.78 151.25 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.76 166.91 20.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 p -136.94 146.97 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.4 t -139.97 157.51 45.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.41 137.85 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 26' ' ' VAL . 2.9 tm? -105.01 126.9 52.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.455 ' N ' HD13 ' A' ' 91' ' ' LEU . 59.6 m-85 -117.92 96.23 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -98.95 113.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -65.31 153.44 41.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 t -111.76 104.79 13.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.38 -105.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.437 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.51 0.64 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -95.68 -50.73 4.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 t -63.84 118.49 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 t -168.35 155.9 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -119.95 169.81 9.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.65 87.87 0.55 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -119.43 154.78 33.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -110.09 -54.58 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.07 46.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.27 106.25 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.26 -31.91 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 31.3 m-85 -103.25 102.48 12.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.04 68.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -148.23 111.19 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 pt -84.84 172.04 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.7 178.64 8.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.563 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.1 m-20 -80.36 158.41 71.68 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.63 0.729 . . . . 0.0 110.88 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -14.0 35.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.52 133.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 18.4 m-85 -107.96 166.52 10.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -148.07 125.24 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG11 ' CG1' ' A' ' 26' ' ' VAL . 7.0 p -142.07 164.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -87.87 145.82 25.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 12.6 ttmm -42.02 154.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.42 36.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.99 -143.51 12.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -145.11 122.85 11.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' HG11 ' A' ' 20' ' ' VAL . 24.0 m -94.56 163.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -122.65 125.52 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -135.43 107.39 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -127.36 152.47 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.3 m -142.9 165.91 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -125.32 153.49 43.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD13 ' CG1' ' A' ' 39' ' ' VAL . 3.4 mt -131.28 128.82 40.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.47 -25.35 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -154.88 142.2 13.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.718 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.05 37.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.317 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -55.46 -40.74 71.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.29 157.81 37.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -105.28 168.13 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.422 ' CG1' HD13 ' A' ' 32' ' ' LEU . 34.0 m -128.18 148.81 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -150.06 123.43 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -95.55 132.61 40.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 96.3 m-85 -128.56 141.82 51.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.001 0.429 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -124.77 102.03 7.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 70.03 37.91 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.75 35.21 55.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -144.69 132.51 21.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -62.03 134.81 57.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 49' ' ' ARG . 77.3 mt -91.5 137.92 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' N ' HG23 ' A' ' 48' ' ' ILE . 6.1 ptm180 -100.09 136.84 20.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 122.53 9.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 t -159.96 174.85 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -42.83 -35.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -70.51 -46.46 63.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -101.13 113.87 27.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mm -98.07 106.99 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -96.75 119.12 34.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -133.35 129.36 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -111.37 127.59 55.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -147.65 110.58 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 44.02 88.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.535 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 60' ' ' GLY . 24.5 p 34.28 46.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -148.31 111.75 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -103.73 125.01 49.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.4 mp -108.95 147.14 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -137.09 126.92 25.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -120.38 127.71 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.5 mt -114.08 113.62 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -88.64 157.92 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 67.55 48.77 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLY . 81.7 m -70.17 97.63 1.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -101.0 155.01 18.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.4 mtp -42.54 -40.97 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.7 p -65.49 -36.62 84.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 76' ' ' SER . 6.2 t0 -50.4 -45.93 55.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' ASP . 0.9 OUTLIER -34.84 93.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 74' ' ' ASP . 1.1 t -134.72 168.53 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -84.75 125.74 32.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -113.25 143.82 43.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.5 p90 -151.27 127.15 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -106.24 143.54 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.7 p -116.45 135.78 53.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -145.12 106.71 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.36 -113.18 4.16 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.26 18.52 16.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -137.8 157.38 46.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -163.53 157.41 19.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.0 177.81 7.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -144.32 164.83 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -150.78 168.38 24.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -121.9 130.69 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.465 HD23 ' CG1' ' A' ' 26' ' ' VAL . 3.4 tm? -100.05 130.77 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -122.97 93.36 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.6 p -92.58 115.18 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -82.69 174.2 11.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -97.57 113.93 25.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.71 -173.56 13.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.54 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.01 22.76 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.747 2.298 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.0 p -137.44 134.78 36.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.7 t -143.77 170.61 15.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -47.77 119.6 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -75.09 85.27 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.67 175.32 54.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -133.8 99.27 4.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.37 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -87.62 148.3 24.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.2 99.53 0.53 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.445 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.44 123.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.09 -23.86 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 17.1 m-85 -102.15 105.82 16.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.05 74.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -146.53 127.22 14.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 pt -93.99 152.6 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 2.7 mp -64.47 156.26 30.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.519 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 2.4 m-20 -55.27 152.36 15.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.836 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.94 24.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.78 130.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 19.5 m-85 -111.36 167.0 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -148.55 123.62 10.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG13 ' CG1' ' A' ' 26' ' ' VAL . 5.1 p -140.14 162.9 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -82.71 150.47 26.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 24' ' ' GLY . 30.5 tttp -47.59 156.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.11 32.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -101.12 -144.53 15.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -144.73 124.91 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG1' HD23 ' A' ' 91' ' ' LEU . 15.8 m -94.32 168.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 41.7 ttp180 -131.31 128.54 39.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -135.65 109.45 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -123.88 141.63 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.437 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 34.3 m -143.31 150.34 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -100.8 152.13 20.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 39' ' ' VAL . 7.5 mt -124.25 115.51 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.94 -28.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 68.4 m-20 -153.53 145.89 17.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.0 29.3 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -59.16 -40.24 84.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.68 145.75 48.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -95.51 161.26 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.458 ' CG1' HD22 ' A' ' 32' ' ' LEU . 20.4 m -129.81 140.04 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 17.9 mmtp -140.75 127.97 20.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -100.37 133.26 45.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.552 ' CD2' ' HA ' ' A' ' 47' ' ' GLU . 90.4 m-85 -129.66 152.47 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 43.4 tttt -133.16 100.78 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.3 t30 66.04 45.1 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.96 34.63 71.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -140.25 120.29 13.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.552 ' HA ' ' CD2' ' A' ' 42' ' ' TYR . 20.6 tt0 -56.93 134.53 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.473 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 57.4 mt -96.1 134.92 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -106.67 144.21 28.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 122.19 8.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -157.43 -177.51 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 t -51.89 -21.64 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -87.3 -46.47 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.507 ' CD1' HG12 ' A' ' 67' ' ' ILE . 94.4 m-85 -100.63 118.66 37.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mm -101.53 106.1 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -93.23 115.73 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -124.65 154.46 40.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 8.5 p-80 -137.37 117.31 13.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -129.65 85.87 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.28 99.13 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.9 m 40.52 40.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -147.12 108.11 4.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -102.97 114.62 29.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.458 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 3.7 mp -101.22 153.83 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.524 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 1.3 tm? -144.17 126.57 15.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.493 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 96.5 m-85 -121.27 134.8 55.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 54' ' ' TYR . 50.9 mt -117.84 118.4 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -90.78 160.96 15.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 62.3 51.83 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' GLY . 71.9 m -69.8 101.04 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.75 160.33 15.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.8 tpt -42.65 -41.29 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -63.63 -37.51 87.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 76' ' ' SER . 6.3 t0 -52.54 -44.08 65.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -45.1 90.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 74' ' ' ASP . 1.4 t -136.4 173.5 11.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.56 107.27 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' A' ' 43' ' ' LYS . 36.6 m-85 -97.2 151.86 19.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.517 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.2 p90 -157.95 134.99 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 81' ' ' THR . 10.8 p -108.68 147.33 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.104 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.404 ' N ' HG21 ' A' ' 80' ' ' VAL . 75.6 p -122.18 136.2 54.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -148.95 109.47 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.57 -110.73 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -119.31 20.66 12.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -132.85 161.85 33.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -162.37 146.61 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.2 p -131.08 158.03 41.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.5 p -132.92 155.3 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.1 t -143.39 170.41 15.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -122.04 124.68 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.463 HD23 ' CG1' ' A' ' 26' ' ' VAL . 3.4 tm? -97.76 134.26 41.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -124.69 95.45 4.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.4 p -91.85 114.48 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -61.82 171.19 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.2 p -122.32 104.67 9.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 146.22 148.72 4.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 98' ' ' SER . 53.7 Cg_endo -69.75 140.98 44.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 97' ' ' PRO . 10.1 t -34.61 -51.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' SER . 30.3 t -36.66 105.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -108.6 102.36 11.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -105.11 43.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.81 157.95 30.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.8 p -158.62 172.98 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -95.09 -63.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.95 -105.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.49 121.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.1 -32.87 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 45.7 m-85 -92.95 105.79 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.07 65.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -152.88 109.29 3.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -82.43 158.57 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.79 147.89 52.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.569 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.3 m-20 -49.45 161.1 0.51 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -15.18 36.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.45 134.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 29.1 m-85 -110.35 162.15 14.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 54.1 mt-30 -148.44 126.75 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.442 HG13 ' CG1' ' A' ' 26' ' ' VAL . 6.3 p -138.64 158.46 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -78.94 143.82 35.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 11.2 ttmt -43.81 152.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 42.23 34.01 1.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.31 -144.44 11.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.513 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 16.2 ttm105 -144.7 127.0 15.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 91' ' ' LEU . 10.0 m -93.61 159.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -127.27 114.01 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -116.42 108.52 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.9 t -108.29 142.84 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 m -142.99 135.88 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -99.53 160.66 14.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 HD21 ' CG1' ' A' ' 39' ' ' VAL . 3.7 mt -138.71 129.67 26.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.15 -25.07 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -149.87 143.28 16.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.566 0.698 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -29.36 24.22 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -56.34 -29.0 60.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 13.5 mt -65.03 153.42 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -111.14 145.64 38.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.459 ' CG1' HD21 ' A' ' 32' ' ' LEU . 18.5 m -111.86 145.41 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -145.11 123.48 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -97.32 128.48 44.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.536 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.1 m-85 -126.08 150.83 47.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -129.76 102.38 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 m120 64.04 33.46 12.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.93 25.48 40.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -127.83 134.71 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.01 126.87 30.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -90.13 134.9 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -107.77 143.61 27.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.688 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 118.95 5.99 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.334 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 54' ' ' TYR . 20.9 p -149.2 173.18 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.7 m -40.92 -31.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -79.41 -40.6 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' SER . 72.3 m-85 -102.09 113.98 27.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.5 mm -101.3 102.68 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -85.5 116.68 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -125.17 149.34 48.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 7.2 p-80 -136.34 126.15 25.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -138.95 106.24 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 46.65 97.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 60' ' ' GLY . 23.5 m 34.43 48.86 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.76 0.314 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -146.78 142.95 28.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -130.08 120.86 25.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -111.75 153.62 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.9 tm? -139.35 127.6 22.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' N ' HD11 ' A' ' 65' ' ' LEU . 94.2 m-85 -118.03 139.96 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.5 mt -127.57 100.43 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -74.32 158.4 34.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 65.63 50.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' GLY . 86.7 m -69.9 100.5 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -109.28 166.94 10.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.6 tpp -43.72 -44.85 6.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.8 p -61.43 -32.87 72.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 76' ' ' SER . 26.2 t0 -56.7 -44.48 81.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.848 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -48.3 88.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' ASP . 0.9 OUTLIER -136.37 170.85 15.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -82.23 132.17 35.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CE1' ' O ' ' A' ' 76' ' ' SER . 61.0 m-85 -123.05 143.13 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 20.2 p90 -148.45 125.97 11.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 p -104.99 145.6 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.6 p -121.32 136.36 54.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.598 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -147.21 110.46 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.96 -109.04 2.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -121.36 20.76 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.74 0.305 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -138.63 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 87' ' ' CYS . 0.2 OUTLIER -164.28 168.36 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 15.1 p -149.07 136.9 20.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.0 m -114.66 157.45 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -146.87 170.57 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -122.8 127.96 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.45 HD21 ' CG1' ' A' ' 26' ' ' VAL . 3.2 tm? -97.24 136.31 37.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -128.66 93.47 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.6 p -92.67 108.51 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -66.87 170.5 6.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.7 p -116.55 92.85 3.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.7 150.29 5.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 98' ' ' SER . 53.4 Cg_endo -69.8 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' PRO . 22.8 t -36.11 105.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 m -76.73 93.5 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.832 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.988 . . . . . . . . 0 0 . 1 . 015 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 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -120.26 -60.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -128.0 112.17 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.75 78.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -86.82 -48.29 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -86.87 157.55 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.86 -50.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.84 39.42 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.55 -31.16 67.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.516 ' CZ ' ' HB1' ' A' ' 82' ' ' ALA . 23.8 m-85 -95.95 109.68 22.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.01 -31.36 72.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -149.54 107.73 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.431 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 2.5 pp -77.34 149.37 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 5.3 mp -48.75 145.31 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.2 m-20 -45.58 159.83 0.29 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -16.01 37.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.16 133.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 42.5 m-85 -107.61 157.74 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -143.12 126.06 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG13 ' CG1' ' A' ' 26' ' ' VAL . 5.5 p -143.13 161.55 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.158 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -79.36 150.75 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' GLY . 18.3 ttpp -47.27 156.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 34.22 38.87 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.479 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.66 -146.95 13.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -141.96 127.85 19.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.473 ' CG1' HG13 ' A' ' 20' ' ' VAL . 5.4 m -96.66 168.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 70.9 ttp85 -136.81 108.1 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -107.66 112.54 25.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -112.26 142.57 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 m -145.73 135.7 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -101.85 145.97 28.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.416 HD13 ' CG1' ' A' ' 39' ' ' VAL . 4.2 mt -120.39 121.53 38.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.28 -35.36 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -143.66 143.89 25.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -25.99 28.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -54.05 -43.55 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.91 145.91 54.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 39' ' ' VAL . 4.8 tp10 -96.61 157.25 15.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 28.4 m -121.1 141.23 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 13.7 mtmm -137.93 126.88 24.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -99.5 135.8 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 47' ' ' GLU . 94.7 m-85 -135.9 150.38 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -133.65 105.62 6.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 66.53 40.48 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' HG3' ' A' ' 46' ' ' GLN . . . 68.67 38.35 85.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.4 ' HG3' ' C ' ' A' ' 45' ' ' GLY . 31.6 mt-30 -145.97 114.57 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 25.1 tt0 -48.16 141.87 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.465 HG21 ' CE2' ' A' ' 54' ' ' TYR . 77.2 mt -101.48 138.3 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' N ' HG23 ' A' ' 48' ' ' ILE . 12.7 ptt180 -104.13 143.3 26.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.03 4.37 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -156.81 174.46 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.8 m -40.84 -36.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -73.07 -47.02 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CE2' HG21 ' A' ' 48' ' ' ILE . 71.3 m-85 -103.02 114.0 27.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 mm -102.73 101.48 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -89.26 119.41 29.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -129.8 156.43 44.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -135.51 114.6 12.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -133.4 91.96 2.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 60.75 89.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' GLY . 81.8 m 34.43 40.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -140.73 105.9 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' HG3' ' CG2' ' A' ' 39' ' ' VAL . 19.5 mmt180 -92.49 121.16 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.546 HG23 ' CE2' ' A' ' 66' ' ' PHE . 9.8 mt -106.74 141.34 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 1.4 tm? -131.88 126.36 34.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.546 ' CE2' HG23 ' A' ' 64' ' ' ILE . 97.4 m-85 -117.58 130.97 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.495 ' CD1' ' CE2' ' A' ' 78' ' ' TYR . 72.7 mt -117.1 110.64 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -86.52 152.97 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.7 t30 72.76 51.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 77.7 m -73.3 108.55 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' C ' HG11 ' A' ' 93' ' ' VAL . 0.7 OUTLIER -110.64 150.74 28.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 3.1 mtt -47.57 -49.69 25.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.6 p -65.57 -38.3 89.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' ASP . 7.6 m-20 -56.33 -42.24 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.474 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -34.49 113.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 m -136.99 171.41 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -91.18 107.31 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 35.0 m-85 -87.06 153.58 21.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 19.1 p90 -158.51 123.13 4.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 81' ' ' THR . 14.8 p -103.52 148.79 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.466 ' N ' HG22 ' A' ' 80' ' ' VAL . 57.4 p -122.66 131.92 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.516 ' HB1' ' CZ ' ' A' ' 10' ' ' PHE . . . -133.79 98.84 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.78 -114.26 4.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -107.97 30.56 6.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -148.34 171.88 15.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -163.09 168.25 21.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.3 m -128.0 -174.97 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 p -163.68 143.49 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.2 t -148.69 165.81 30.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -119.89 129.43 54.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.433 HD21 ' CG1' ' A' ' 26' ' ' VAL . 3.5 tm? -96.16 126.45 41.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -122.21 93.14 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.419 HG11 ' C ' ' A' ' 71' ' ' GLN . 2.5 p -94.6 116.33 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -68.4 -178.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.6 p -121.44 77.3 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.23 -149.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 110.44 2.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.371 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.6 p -115.55 165.48 12.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 m -44.91 148.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -140.04 172.35 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -38.88 115.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.28 82.51 1.02 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -72.38 84.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 m -124.91 88.81 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.63 89.08 0.48 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.24 109.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.95 -36.76 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CZ ' HG11 ' A' ' 80' ' ' VAL . 17.7 m-85 -97.85 114.6 26.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . . . -69.42 -28.68 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -152.21 107.01 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 pt -73.61 150.73 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.56 145.29 19.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -50.5 156.88 1.38 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -13.55 34.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.06 137.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 7.7 m-85 -108.74 164.27 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -147.35 119.1 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.452 HG11 ' CG1' ' A' ' 26' ' ' VAL . 6.1 p -143.76 158.6 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.75 150.61 34.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' GLY . 20.9 ttpt -47.0 153.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.36 34.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -99.45 -143.98 15.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -144.12 120.62 11.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.452 ' CG1' HG11 ' A' ' 20' ' ' VAL . 34.0 m -92.98 168.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -139.3 108.02 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -104.94 108.49 20.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 30' ' ' VAL . 98.0 t -104.93 139.8 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' N ' HG12 ' A' ' 29' ' ' VAL . 26.8 m -144.05 141.6 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HB3' ' CB ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -107.87 153.58 22.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -127.95 134.35 49.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.99 -31.38 60.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -153.97 143.71 15.29 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.655 0.741 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.47 16.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.73 2.287 . . . . 0.0 112.376 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.55 -33.2 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.62 162.2 29.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -106.4 169.76 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 63' ' ' ARG . 16.6 m -139.89 139.54 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 43.2 mttt -144.3 124.02 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.413 ' C ' HD11 ' A' ' 48' ' ' ILE . 51.1 m95 -96.32 132.31 41.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 95.5 m-85 -127.87 149.33 50.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -132.08 105.96 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.9 m120 64.94 42.37 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.7 35.75 74.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -140.94 121.31 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 42' ' ' TYR . 49.2 tt0 -57.05 129.32 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.413 HD11 ' C ' ' A' ' 41' ' ' TRP . 23.8 mt -92.4 143.12 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.66 147.11 39.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 119.29 6.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.396 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' THR . 31.9 p -157.74 171.71 19.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' SER . 24.5 p -35.87 -38.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.157 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -74.91 -49.48 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -102.88 114.49 28.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mm -102.36 107.31 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -88.93 115.59 26.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -116.26 116.93 28.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -103.5 111.73 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -120.19 87.47 2.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.11 -87.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.2 m -129.39 42.65 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -147.11 109.14 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.453 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -97.57 105.93 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.98 151.12 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -138.35 127.69 24.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -115.8 125.41 52.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.3 mt -112.14 109.26 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -86.8 159.61 19.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 65.71 39.08 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' GLY . 92.1 m -61.75 99.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.41 146.03 26.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.2 tpp -50.81 -41.81 57.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 t -74.22 -18.36 60.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.77 -27.56 36.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -46.16 113.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.5 m -136.72 173.17 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -89.95 107.02 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -89.28 147.51 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 34.8 p90 -148.85 128.92 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 ' CZ ' ' A' ' 10' ' ' PHE . 8.2 p -107.74 145.64 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.1 p -121.12 132.86 55.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -134.8 99.67 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.28 -113.1 4.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.18 26.03 11.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -142.86 159.67 41.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -166.16 151.04 8.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 18.8 p -131.14 172.53 12.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 m -138.74 157.63 45.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 t -150.41 164.08 36.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -114.44 134.92 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 92' ' ' PHE . 2.4 tm? -104.43 121.46 43.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.468 ' N ' HD23 ' A' ' 91' ' ' LEU . 56.7 m-85 -113.14 93.38 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -95.11 111.94 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -58.93 171.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 t -115.12 -72.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.53 123.49 0.68 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -30.22 22.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -71.49 100.25 2.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.1 t -48.34 156.55 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -146.24 170.44 16.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -57.57 106.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.93 -132.4 5.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 m -154.93 174.07 15.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -99.9 -53.39 3.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.04 -120.33 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.07 38.7 29.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.07 65.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.443 ' CE1' HG13 ' A' ' 80' ' ' VAL . 44.6 m-85 -106.74 110.3 22.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.27 -26.87 47.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 108.73 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.3 pt -82.09 175.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 3.6 mp -85.85 155.17 21.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.11 153.8 6.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.72 21.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.284 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.04 128.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -107.45 161.06 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -144.13 128.52 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.462 HG13 ' CG1' ' A' ' 26' ' ' VAL . 4.3 p -144.11 165.14 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.6 155.82 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -54.66 154.51 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 41.33 28.75 0.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.17 -145.96 17.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -145.96 128.83 16.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 20' ' ' VAL . 20.3 m -94.56 168.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 27.5 ttm180 -133.46 121.65 22.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -122.58 107.99 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 30' ' ' VAL . 45.7 t -108.02 140.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.461 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 25.3 m -148.27 136.63 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -102.93 162.54 12.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 mt -132.08 127.75 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.04 -20.35 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -158.56 144.44 12.35 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.35 24.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.262 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -58.2 -24.39 58.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -74.55 140.59 44.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -89.54 164.53 14.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 m -136.5 143.57 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 23.3 mmtp -144.73 125.3 14.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -96.37 135.11 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 93.7 m-85 -135.31 149.64 49.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -129.6 112.71 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 55.93 29.69 14.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.32 28.38 27.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.07 122.76 36.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 44.0 tt0 -63.3 115.43 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.6 mt -85.39 137.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 153.83 48.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 121.07 7.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.384 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' TYR . 3.9 m -160.18 169.46 23.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 74.6 m -37.92 -37.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -75.48 -43.32 49.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' SER . 57.6 m-85 -103.49 113.95 27.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mm -98.56 103.65 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -89.63 116.14 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -123.25 158.69 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -140.67 125.5 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -145.62 109.15 4.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 51.56 88.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 60' ' ' GLY . 44.4 m 33.63 43.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.761 0.315 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' OE1' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -145.96 132.25 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -117.61 129.58 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 65' ' ' LEU . 3.9 mp -111.32 150.36 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 ' CD1' HG13 ' A' ' 67' ' ' ILE . 3.3 tm? -134.4 128.97 34.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.493 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 78.1 m-85 -119.32 128.05 53.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' CD1' ' A' ' 65' ' ' LEU . 50.4 mt -116.17 113.2 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -90.91 156.9 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 74.96 42.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 94.2 m -65.92 102.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.415 ' C ' HG11 ' A' ' 93' ' ' VAL . 6.0 tp-100 -107.19 151.3 25.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.8 mmt -50.55 -46.74 57.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.8 p -69.27 -29.69 67.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 75' ' ' ASP . 2.2 m-20 -66.17 -40.01 90.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.486 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -34.24 110.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -137.13 170.49 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.25 132.6 34.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -115.05 144.03 44.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 28.4 p90 -153.13 123.02 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.443 HG13 ' CE1' ' A' ' 10' ' ' PHE . 14.1 p -101.75 145.18 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.9 p -117.72 143.23 46.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.408 ' HB1' ' CE2' ' A' ' 10' ' ' PHE . . . -155.87 113.77 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.26 -109.99 2.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -120.83 12.07 11.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -129.71 167.62 17.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -166.07 152.35 9.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 13.1 p -126.06 169.43 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 p -142.0 158.64 43.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 t -150.77 165.26 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -118.02 130.94 56.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD22 ' CG1' ' A' ' 26' ' ' VAL . 3.2 tm? -97.12 129.69 44.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -122.77 96.56 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.415 HG11 ' C ' ' A' ' 71' ' ' GLN . 2.3 p -95.97 122.38 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 12.8 mtp-105 -82.3 149.34 27.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.2 t -134.33 83.17 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -114.22 139.14 15.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 98' ' ' SER . 53.4 Cg_endo -69.81 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' PRO . 91.2 p 36.13 39.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 87.7 p -111.99 -4.83 14.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m 41.47 42.59 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -91.91 90.22 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.77 -66.54 0.32 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m 39.2 43.47 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m -141.05 125.39 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.91 -94.32 1.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.07 117.53 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.09 -32.94 6.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.526 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 61.1 m-85 -94.72 125.24 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.9 -22.83 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -153.48 107.49 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.6 pt -79.18 166.71 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 4.2 mp -80.22 155.05 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 61.8 m-20 -54.32 153.16 10.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.722 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -8.91 24.81 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.71 134.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 22.1 m-85 -111.83 165.87 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -147.13 125.46 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG11 ' CG1' ' A' ' 26' ' ' VAL . 4.7 p -145.05 161.49 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -82.49 156.87 23.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.2 ttmt -51.17 152.31 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 36.02 35.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -99.35 -141.48 12.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -143.5 124.8 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.464 ' CG2' ' HB ' ' A' ' 67' ' ' ILE . 6.8 m -99.62 164.64 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.497 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 25.7 ttm180 -129.33 128.27 42.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -136.18 107.6 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -123.43 152.53 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' N ' ' CG2' ' A' ' 29' ' ' VAL . 8.1 m -148.76 143.43 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -99.29 160.01 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD22 ' CG1' ' A' ' 39' ' ' VAL . 4.3 mt -134.36 132.88 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.57 -32.72 67.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -147.22 143.58 18.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.93 37.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -63.35 -34.54 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.25 155.04 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.02 153.69 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG1' HD22 ' A' ' 32' ' ' LEU . 30.1 m -118.28 146.76 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 21.0 mmtp -149.21 123.5 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -96.3 128.15 42.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 98.6 m-85 -125.56 144.31 50.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -128.51 109.87 11.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.5 m120 62.93 35.26 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.87 36.83 40.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -144.86 141.04 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -68.83 136.72 53.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mt -96.15 131.08 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -104.36 143.89 27.59 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.9 12.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 t -155.05 178.59 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 t -49.69 -18.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HE2' ' CE2' ' A' ' 54' ' ' TYR . 28.5 ttpt -91.94 -41.78 10.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.508 ' CE2' ' HE2' ' A' ' 53' ' ' LYS . 73.5 m-85 -100.87 113.92 27.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.599 ' CD1' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -106.26 101.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.547 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 30.8 m-85 -87.54 132.42 34.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.66 119.38 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -97.37 118.12 33.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -130.01 86.5 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.83 -115.45 7.57 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 m -99.28 38.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -138.83 143.83 39.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -127.31 112.77 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.68 151.24 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 2.6 tm? -146.48 128.42 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.497 ' CE2' ' HG3' ' A' ' 27' ' ' ARG . 86.9 m-85 -119.57 139.17 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.464 ' HB ' ' CG2' ' A' ' 26' ' ' VAL . 31.6 mt -120.16 102.24 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -76.87 159.39 30.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 64.63 51.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' GLY . 77.6 m -73.69 98.09 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 12.4 tp-100 -101.77 159.74 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.406 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 11.1 mtp -41.92 -55.83 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.7 p -53.06 -29.53 30.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 76' ' ' SER . 5.6 t0 -54.64 -49.22 71.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 74' ' ' ASP . 0.9 OUTLIER -34.6 93.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 74' ' ' ASP . 22.0 m -136.52 171.97 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -87.42 130.85 34.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -119.61 142.9 47.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 27.2 p90 -150.55 130.6 13.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.466 HG21 ' N ' ' A' ' 81' ' ' THR . 8.4 p -110.8 144.92 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.466 ' N ' HG21 ' A' ' 80' ' ' VAL . 57.8 p -114.13 145.14 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.526 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -158.8 107.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.44 -121.76 9.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -108.77 30.03 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.693 0.283 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -144.46 166.07 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -165.78 146.98 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.5 p -126.65 178.52 5.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.6 p -153.15 154.68 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 t -144.16 174.52 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -130.55 127.24 38.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 2.2 tm? -97.97 122.91 41.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -112.7 96.17 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.1 p -93.19 122.18 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -83.29 176.52 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.0 t -111.45 110.36 20.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.11 123.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.53 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 103.12 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.4 m -52.7 143.78 15.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.3 m 60.25 41.04 17.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.486 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -109.22 46.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -111.01 91.84 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.68 -149.56 4.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -130.3 163.5 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -119.57 120.15 35.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.61 -124.08 3.43 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.0 124.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.4 -30.58 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CE1' HG13 ' A' ' 80' ' ' VAL . 48.4 m-85 -100.22 119.88 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.1 -22.12 31.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -152.3 106.91 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -78.42 152.56 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 6.4 mt -59.87 144.16 49.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.532 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.9 m-20 -46.13 160.44 0.3 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 110.824 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -19.4 36.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.01 137.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 28.9 m-85 -109.22 172.01 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -150.57 122.16 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG12 ' CG1' ' A' ' 26' ' ' VAL . 10.0 p -139.58 169.58 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -89.38 139.84 30.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 20.1 ttpt -39.22 159.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 36.41 36.59 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.51 -148.45 11.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -144.5 123.76 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.475 ' CG1' HD21 ' A' ' 91' ' ' LEU . 24.3 m -95.21 169.03 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.562 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 27.0 ttt85 -130.26 120.53 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.475 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 23.2 m-85 -122.33 107.42 12.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.49 146.18 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 19.6 m -141.09 155.05 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -103.47 158.18 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD23 ' CG1' ' A' ' 39' ' ' VAL . 4.1 mt -131.18 133.13 45.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -19.12 65.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -154.73 141.53 13.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -27.4 26.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -63.18 -27.48 69.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.4 mt -67.28 132.77 48.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 169.44 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.452 HG23 ' NE ' ' A' ' 63' ' ' ARG . 16.0 m -139.36 143.15 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 2.0 mtmp? -145.92 125.04 12.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -95.79 135.28 37.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 67.8 m-85 -126.92 157.66 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.552 ' HD3' ' CE2' ' A' ' 78' ' ' TYR . 20.2 tptp -133.64 135.4 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.3 t30 39.14 25.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . 87.94 35.04 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' LYS . 25.3 mt-30 -148.53 121.68 8.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.311 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -43.0 146.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 49' ' ' ARG . 75.3 mt -107.08 139.93 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' N ' HG21 ' A' ' 48' ' ' ILE . 37.4 mtt85 -103.7 140.0 20.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 113.65 3.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' TYR . 35.2 m -147.39 169.03 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.6 m -43.38 -30.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -71.87 -38.54 70.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' SER . 85.3 m-85 -106.69 122.94 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.0 mm -98.8 102.25 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -91.7 118.5 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -120.08 121.51 39.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.519 ' ND1' ' CZ ' ' A' ' 63' ' ' ARG . 3.3 t-160 -101.41 117.9 35.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' GLY . 5.6 ttmm -130.13 146.24 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . . . -30.48 116.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.7 m 40.68 49.5 2.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' LYS . 2.1 tt0 -168.61 137.1 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.519 ' CZ ' ' ND1' ' A' ' 58' ' ' HIS . 22.3 mmt180 -131.92 130.65 41.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.529 HG22 ' CE1' ' A' ' 66' ' ' PHE . 2.1 mp -119.57 151.44 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.563 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -147.09 131.42 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 27' ' ' ARG . 33.0 m-85 -119.68 147.96 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.475 ' CD1' ' CE2' ' A' ' 28' ' ' PHE . 3.8 mp -126.72 114.1 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -85.69 159.29 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.28 43.38 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.4 m -66.91 96.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -101.96 169.93 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.4 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -65.91 -15.99 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.8 t -92.17 -26.43 18.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.159 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.86 -37.29 55.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.465 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 8.9 p-10 -40.11 98.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.412 ' HB2' ' CE ' ' A' ' 43' ' ' LYS . 1.6 m -136.76 172.0 13.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -92.55 109.48 20.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.552 ' CE2' ' HD3' ' A' ' 43' ' ' LYS . 18.2 m-85 -89.9 148.1 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 42' ' ' TYR . 46.6 p90 -142.66 132.12 23.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.457 HG13 ' CE1' ' A' ' 10' ' ' PHE . 10.6 p -108.75 155.43 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.8 p -125.02 145.0 50.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -155.71 107.65 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.58 -109.73 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.35 18.42 14.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -133.41 166.95 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -164.96 146.27 7.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 23.4 p -124.06 171.65 9.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.5 p -148.6 153.4 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.1 t -141.06 160.84 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -112.23 127.96 56.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.475 HD21 ' CG1' ' A' ' 26' ' ' VAL . 3.2 tm? -96.11 133.41 40.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -128.15 96.14 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.428 ' CG2' ' HA ' ' A' ' 22' ' ' LYS . 6.5 p -100.15 109.87 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -73.88 172.48 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 55.6 p -106.93 91.07 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.58 161.95 28.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.34 50.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.0 p -85.26 109.04 18.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.5 t -173.29 150.17 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -60.69 158.59 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m 56.13 44.03 25.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.65 172.83 28.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 m -126.78 109.54 12.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 p -91.36 134.99 34.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.87 98.0 0.95 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.69 117.89 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.67 -32.94 4.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 73.8 m-85 -93.78 120.27 33.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.89 -34.74 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -133.07 89.44 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.5 pt -68.63 165.06 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.85 136.19 46.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.8 m-20 -38.93 156.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.655 0.74 . . . . 0.0 110.843 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -14.21 35.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.07 135.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 27.6 m-85 -112.44 162.29 15.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.411 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 56.3 mt-30 -150.62 120.38 7.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.462 HG12 ' CG1' ' A' ' 26' ' ' VAL . 8.6 p -136.44 167.81 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -85.93 143.32 28.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.8 OUTLIER -42.27 156.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.82 29.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -100.53 -147.74 21.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -143.16 123.39 13.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 67' ' ' ILE . 9.9 m -95.28 155.67 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -121.19 118.75 30.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -119.11 107.86 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.1 137.34 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.9 m -134.97 125.93 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -97.73 142.99 28.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD23 ' CE1' ' A' ' 10' ' ' PHE . 4.1 mt -118.02 131.27 56.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.7 -18.68 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.4 OUTLIER -140.79 127.68 11.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.13 31.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -59.65 -43.34 93.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.65 142.72 57.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -95.13 170.32 9.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG1' HD13 ' A' ' 32' ' ' LEU . 23.8 m -125.36 151.67 31.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -148.11 124.22 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -97.14 135.15 39.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 97.0 m-85 -133.6 155.52 49.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -132.62 98.99 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 61.99 43.23 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.27 32.0 56.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -137.2 120.53 16.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.74 0.305 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -57.5 135.91 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.6 mt -97.65 135.62 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -110.65 147.35 36.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.01 6.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.8 p -148.3 -175.13 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 t -56.72 -20.84 24.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' HE2' ' CG2' ' A' ' 67' ' ' ILE . 41.1 tttt -91.12 -40.01 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -102.54 120.54 40.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mm -110.69 111.54 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -94.65 114.36 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -122.83 131.12 53.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -111.96 122.71 48.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -134.87 87.83 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.57 96.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.8 m 40.74 47.45 2.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.757 0.313 . . . . 0.0 110.823 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -152.3 105.38 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.43 ' HG3' ' CG2' ' A' ' 39' ' ' VAL . 30.1 mmt180 -99.76 112.81 25.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.54 144.7 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.45 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.7 tm? -132.05 128.1 37.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.411 ' N ' HD11 ' A' ' 65' ' ' LEU . 70.7 m-85 -114.79 131.65 56.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.467 ' HB ' ' CG2' ' A' ' 26' ' ' VAL . 67.6 mt -119.77 105.43 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -85.22 168.07 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 62.24 40.97 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 23' ' ' GLY . 99.7 m -59.43 97.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -103.92 155.75 18.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.459 ' CE ' ' HB3' ' A' ' 95' ' ' SER . 22.2 mmt -47.06 -27.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.8 p -80.77 -29.55 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 13.9 m-20 -62.9 -40.3 97.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -44.46 94.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 2.3 m -136.47 162.82 32.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -79.28 109.13 13.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 76' ' ' SER . 23.9 m-85 -95.23 144.59 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 42' ' ' TYR . 26.1 p90 -146.25 133.45 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.969 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -110.35 138.9 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.3 p -114.17 135.75 53.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -145.82 107.92 4.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.7 -109.75 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -117.57 10.5 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -129.39 159.38 36.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -161.77 165.8 27.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 2.6 m -151.5 154.18 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.1 p -126.0 155.18 41.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.6 t -134.83 169.49 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.587 ' OE1' ' CD2' ' A' ' 92' ' ' PHE . 5.8 tm-20 -114.65 138.18 51.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.439 HD22 ' CG1' ' A' ' 26' ' ' VAL . 3.0 tm? -112.8 125.37 54.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.587 ' CD2' ' OE1' ' A' ' 90' ' ' GLU . 51.3 m-85 -122.81 93.46 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 22' ' ' LYS . 1.5 p -89.75 110.5 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -79.63 173.8 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.459 ' HB3' ' CE ' ' A' ' 72' ' ' MET . 52.8 p -147.39 119.43 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.6 145.84 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.5 19.42 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.725 2.284 . . . . 0.0 112.325 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 p 38.91 46.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.7 t -69.78 107.12 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.824 0.345 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.539 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 35.7 m-85 -92.65 114.88 27.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -71.3 -29.74 65.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -149.89 110.07 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.8 pp -77.3 163.36 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.5 mt -70.43 152.51 43.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.539 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.1 m-20 -53.87 155.77 5.72 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.85 33.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.67 131.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.539 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 23.8 m-85 -108.16 166.48 10.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -150.26 126.66 10.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.477 ' HB ' HG12 ' A' ' 26' ' ' VAL . 5.8 p -144.05 164.14 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.44 ' N ' HG22 ' A' ' 20' ' ' VAL . 3.3 p30 -81.59 155.69 25.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' GLY . 21.3 ttpp -53.47 158.3 1.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.96 30.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -101.27 -146.8 19.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -145.93 127.37 15.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.729 HG11 HD21 ' A' ' 91' ' ' LEU . 28.0 m -93.24 165.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 52.3 ttp180 -128.92 113.81 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -116.45 110.11 18.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.939 HG22 HG23 ' A' ' 64' ' ' ILE . 49.9 t -116.76 142.73 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 HD21 ' A' ' 14' ' ' LEU . 21.0 m -144.21 142.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -105.97 149.54 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD21 HG12 ' A' ' 39' ' ' VAL . 5.9 mt -123.71 132.2 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.27 -30.51 50.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.55 143.51 16.12 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -21.55 33.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -53.53 -40.56 65.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.82 159.64 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -112.17 145.91 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.709 HG21 ' HG3' ' A' ' 63' ' ' ARG . 35.8 m -107.66 144.73 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 21.9 mtmt -143.3 126.64 16.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -99.48 138.59 36.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 99.2 m-85 -137.55 145.74 43.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -127.47 104.49 7.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 64.76 43.34 4.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.85 35.77 80.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -141.95 120.76 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.733 0.301 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.517 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 53.9 tt0 -57.3 130.3 45.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -90.04 136.66 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -103.3 143.38 26.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 115.62 4.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' TYR . 4.3 t -152.98 168.58 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' SER . 35.1 p -36.8 -39.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -70.35 -43.98 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 51' ' ' SER . 78.8 m-85 -101.25 114.65 28.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mm -101.32 105.57 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -93.37 114.59 27.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.745 0.307 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -142.04 139.63 32.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.709 ' HG3' HG21 ' A' ' 39' ' ' VAL . 66.2 mmt-85 -126.95 113.78 16.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.939 HG23 HG22 ' A' ' 29' ' ' VAL . 2.1 mp -103.95 149.14 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.762 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.3 tm? -140.49 128.52 22.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.75 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.0 m-85 -119.21 134.09 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.463 HG13 ' CD1' ' A' ' 65' ' ' LEU . 53.2 mt -119.62 108.86 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.184 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -84.58 159.82 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 69.67 41.17 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLY . 83.1 m -67.58 102.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.503 ' O ' HG11 ' A' ' 93' ' ' VAL . 12.7 tp-100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.682 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.1 t0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.814 0.34 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.41 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 5.1 m -136.51 170.27 16.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -81.33 138.89 35.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CE1' ' O ' ' A' ' 76' ' ' SER . 76.2 m-85 -125.93 140.2 52.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 26.5 p90 -147.75 125.98 12.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.973 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.67 142.73 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.416 HG22 ' CB ' ' A' ' 86' ' ' LYS . 78.4 p -115.95 142.61 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -152.91 111.7 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.14 -115.67 5.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.91 27.4 9.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -144.95 162.87 35.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.416 ' CB ' HG22 ' A' ' 81' ' ' THR . 11.9 pttp -164.38 153.14 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.0 p -131.39 173.72 10.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.0 p -143.99 156.36 44.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -147.75 168.86 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -122.35 131.22 53.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.729 HD21 HG11 ' A' ' 26' ' ' VAL . 3.1 tm? -97.32 131.75 43.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.712 ' N ' HD13 ' A' ' 91' ' ' LEU . 54.1 m-85 -121.26 96.37 5.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 75' ' ' ASP . 5.2 p -101.06 121.5 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.779 0.323 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 42.5 m-85 -99.01 109.28 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -33.41 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -143.37 105.07 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 pt -73.56 160.03 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.608 HD21 HG13 ' A' ' 30' ' ' VAL . 6.7 mt -66.38 140.41 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -41.82 154.06 0.26 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.555 0.693 . . . . 0.0 110.858 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.13 25.35 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.82 139.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 16.4 m-85 -117.52 164.22 15.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -148.51 124.28 10.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.516 ' HB ' HG12 ' A' ' 26' ' ' VAL . 3.5 p -140.18 163.8 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 20' ' ' VAL . 1.7 t70 -82.16 155.16 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' GLY . 4.8 ttpm? -51.94 154.72 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.48 30.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.422 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -100.81 -148.74 22.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -140.71 126.49 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.751 HG11 HD21 ' A' ' 91' ' ' LEU . 16.8 m -92.52 162.19 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -128.77 118.56 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -119.33 112.59 19.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.49 HG22 HG12 ' A' ' 64' ' ' ILE . 44.6 t -112.32 140.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.608 HG13 HD21 ' A' ' 14' ' ' LEU . 28.9 m -145.25 132.08 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -97.87 155.67 16.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 mt -129.19 127.85 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.27 -30.13 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -151.42 142.92 15.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -17.61 37.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -63.57 -29.2 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 mt -78.16 136.85 37.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -84.75 178.87 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.497 HG21 ' HG3' ' A' ' 63' ' ' ARG . 29.2 m -145.42 151.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -150.16 124.71 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -96.77 134.88 39.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.446 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 86.9 m-85 -128.33 150.69 49.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -132.35 96.52 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 72.75 37.91 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.53 33.52 47.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -142.54 134.43 27.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -67.59 134.46 51.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -93.96 140.96 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -110.17 143.65 28.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 121.67 8.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 t -157.59 -179.95 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -49.43 -19.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -90.24 -47.81 7.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -100.86 120.3 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.439 HG22 ' OE2' ' A' ' 57' ' ' GLU . 2.1 mm -108.76 112.74 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -100.51 120.57 40.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' OE2' HG22 ' A' ' 55' ' ' ILE . 31.8 mp0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.771 0.319 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -134.18 104.12 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.497 ' HG3' HG21 ' A' ' 39' ' ' VAL . 12.7 mmt-85 -91.89 119.03 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.49 HG12 HG22 ' A' ' 29' ' ' VAL . 17.2 mt -109.15 139.2 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.612 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.3 tm? -128.58 128.76 44.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.6 ' N ' HD13 ' A' ' 65' ' ' LEU . 95.4 m-85 -117.48 129.85 56.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.442 HG13 ' CD1' ' A' ' 65' ' ' LEU . 50.0 mt -116.54 112.48 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -85.47 167.42 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 61.65 44.55 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' GLY . 93.2 m -67.18 97.47 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.436 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.455 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 28.3 p -136.46 165.32 26.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -85.72 107.09 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 76' ' ' SER . 15.3 m-85 -97.21 145.11 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 20.5 p90 -149.6 131.03 14.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.535 HG22 ' N ' ' A' ' 81' ' ' THR . 13.0 p -103.15 161.65 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.535 ' N ' HG22 ' A' ' 80' ' ' VAL . 65.0 p -131.77 141.4 49.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.454 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -150.57 112.52 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.17 -103.49 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.43 8.43 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 56.4 mm-40 -119.42 159.91 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -161.44 146.65 13.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 t -134.56 166.11 23.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.8 t -135.56 169.58 17.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.2 t -150.74 173.31 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.92 123.8 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.751 HD21 HG11 ' A' ' 26' ' ' VAL . 2.9 tm? -97.11 132.96 42.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.738 ' N ' HD13 ' A' ' 91' ' ' LEU . 60.0 m-85 -125.37 95.68 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.6 p -93.27 121.72 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.6 mtp85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.779 0.323 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 32.4 m-85 -102.5 106.5 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -67.48 -32.34 73.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -146.24 105.45 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.7 pp -77.28 162.58 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.1 mt -69.02 149.4 48.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 14.3 m-20 -50.02 156.37 1.35 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -10.07 27.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 0.0 112.389 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.67 144.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 26.9 m-85 -122.17 162.36 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -147.3 126.22 12.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.583 HG22 ' H ' ' A' ' 21' ' ' ASP . 6.4 p -141.75 168.82 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.583 ' H ' HG22 ' A' ' 20' ' ' VAL . 2.6 p30 -88.46 140.98 28.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 14.5 ttpp -40.49 155.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.454 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 38.54 37.84 0.58 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.8 -144.71 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -144.43 128.09 17.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.748 HG11 HD21 ' A' ' 91' ' ' LEU . 34.5 m -98.16 168.91 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 27' ' ' ARG . 22.8 ttm105 -124.76 127.55 47.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.618 ' HE2' HG21 ' A' ' 26' ' ' VAL . 62.8 m-85 -137.72 107.41 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 30' ' ' VAL . 6.8 p -134.93 154.92 37.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.451 ' N ' HG22 ' A' ' 29' ' ' VAL . 18.6 m -146.57 170.9 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 33.7 mt-10 -119.42 139.91 51.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.512 HD21 ' CG1' ' A' ' 39' ' ' VAL . 4.3 mt -110.92 124.3 51.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.49 -25.75 11.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 2.9 t70 -150.2 140.49 14.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' ' 34' ' ' ASP . 53.9 Cg_endo -69.78 -17.77 37.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -65.64 -34.62 78.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD13 ' HB1' ' A' ' 9' ' ' ALA . 73.9 mt -64.9 159.54 22.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -111.7 155.78 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.632 HG11 ' HG3' ' A' ' 63' ' ' ARG . 34.8 m -118.59 145.77 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -146.01 123.43 11.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.628 ' HB3' HD12 ' A' ' 48' ' ' ILE . 65.2 m95 -97.12 138.5 34.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.445 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.4 m-85 -137.51 150.55 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -132.2 105.76 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 59.72 37.44 22.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.45 30.02 42.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.94 129.89 42.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 33.0 tt0 -65.05 131.61 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.628 HD12 ' HB3' ' A' ' 41' ' ' TRP . 60.9 mt -98.08 135.85 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mtp-105 -117.73 151.37 48.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.694 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 116.92 4.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.629 2.219 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' TYR . 1.1 t -154.54 169.07 24.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 48.8 p -35.55 -35.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.172 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' SER . 45.1 tttm -78.3 -44.83 24.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' SER . 69.5 m-85 -102.28 120.39 40.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mm -107.8 111.6 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -94.91 116.71 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 97.7 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.774 0.321 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -141.31 106.57 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.632 ' HG3' HG11 ' A' ' 39' ' ' VAL . 26.0 mmt180 -100.58 112.65 25.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.542 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.5 mt -99.52 154.23 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.729 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.6 tm? -145.67 128.85 16.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.729 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.8 m-85 -122.52 134.88 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.3 mt -117.28 119.29 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -91.46 160.43 15.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 65.42 49.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' A' ' 26' ' ' VAL . 28.7 m -65.38 99.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.1 t0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -135.5 168.74 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -83.21 108.16 16.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -96.85 141.7 29.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 36.9 p90 -147.97 128.49 14.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.488 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 14.6 p -106.78 144.56 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.3 p -117.41 140.51 49.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.422 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -151.68 110.66 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.99 -107.97 2.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.95 10.54 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 27.6 mm-40 -125.93 158.64 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -159.97 151.52 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.44 173.11 12.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 p -142.36 161.58 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -144.65 171.12 14.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -125.72 126.41 44.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.748 HD21 HG11 ' A' ' 26' ' ' VAL . 3.3 tm? -98.15 132.74 43.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.652 ' N ' HD13 ' A' ' 91' ' ' LEU . 41.1 m-85 -123.78 94.27 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.488 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.5 p -93.17 110.05 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.797 0.332 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 36.9 m-85 -101.84 106.2 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.7 -19.58 62.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -151.92 106.79 3.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 pt -77.56 173.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.485 HD21 HG13 ' A' ' 30' ' ' VAL . 6.9 mt -81.94 154.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -57.54 153.5 29.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.828 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -13.29 34.52 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.38 136.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 23.5 m-85 -114.75 161.08 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -140.22 131.35 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.661 ' HB ' HG12 ' A' ' 26' ' ' VAL . 3.9 p -146.14 154.25 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.39 146.29 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -43.6 149.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.469 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 41.54 35.83 1.43 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.52 -142.51 10.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.533 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -144.7 124.64 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.661 HG12 ' HB ' ' A' ' 20' ' ' VAL . 4.3 m -94.14 168.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 18' ' ' TYR . 34.5 ttt-85 -128.36 132.66 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' LEU . 48.2 m-85 -142.01 107.49 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 30' ' ' VAL . 4.2 p -132.6 153.25 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.485 HG13 HD21 ' A' ' 14' ' ' LEU . 16.5 m -141.68 161.84 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -111.7 139.41 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.631 HD11 HG11 ' A' ' 39' ' ' VAL . 18.3 mt -115.11 119.62 37.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.41 -24.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -153.19 143.75 15.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.595 0.712 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -25.24 28.67 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.655 2.236 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -57.17 -36.74 71.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.544 HD13 ' HB1' ' A' ' 9' ' ' ALA . 26.4 mt -64.81 144.57 57.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -93.36 163.56 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.631 HG11 HD11 ' A' ' 32' ' ' LEU . 29.1 m -134.11 140.71 45.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 57.5 mttm -141.43 124.15 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.587 ' HB3' HD12 ' A' ' 48' ' ' ILE . 70.2 m95 -95.1 133.48 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 94.1 m-85 -130.42 146.34 51.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -130.41 104.41 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.7 t30 66.91 43.18 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.82 35.52 73.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -150.72 116.98 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -46.54 152.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 41' ' ' TRP . 79.3 mt -106.33 131.72 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.73 143.0 25.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 118.49 5.71 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 t -152.44 -179.02 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.009 0.433 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 t -55.76 -17.75 6.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -89.18 -43.25 11.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CD1' HG12 ' A' ' 67' ' ' ILE . 77.5 m-85 -101.27 114.05 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.74 HG22 ' OE1' ' A' ' 57' ' ' GLU . 5.9 mm -97.66 105.24 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -93.07 119.08 31.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.74 ' OE1' HG22 ' A' ' 55' ' ' ILE . 8.3 mp0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.813 0.34 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -147.92 115.99 6.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.454 ' HG3' HG11 ' A' ' 39' ' ' VAL . 28.7 mmt180 -105.23 118.86 37.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.634 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 16.8 mt -104.7 152.39 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.9 tm? -146.27 128.86 16.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.837 ' N ' HD13 ' A' ' 65' ' ' LEU . 98.4 m-85 -122.5 138.84 54.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.575 ' CD1' ' CE2' ' A' ' 78' ' ' TYR . 83.8 mt -121.71 115.29 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -88.85 166.2 14.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 62.06 49.33 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.517 ' SG ' HG11 ' A' ' 20' ' ' VAL . 80.8 m -66.42 116.34 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.724 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.6 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.0 t -136.99 171.52 14.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -94.74 107.49 19.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.575 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 24.5 m-85 -88.2 140.18 29.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 33.8 p90 -144.13 128.49 17.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.88 152.61 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.0 p -125.2 135.86 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.563 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -148.42 108.59 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.91 -114.61 4.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -114.71 13.71 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -128.46 158.8 37.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -161.79 154.35 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -138.1 171.92 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.8 p -143.49 158.18 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 t -142.24 168.19 20.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -123.53 129.86 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 91' ' ' LEU . 1.3 tm? -98.14 125.79 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.493 ' N ' HD22 ' A' ' 91' ' ' LEU . 49.3 m-85 -112.58 96.27 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.724 HG11 ' O ' ' A' ' 71' ' ' GLN . 6.8 p -97.85 117.68 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.822 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.455 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 28.3 m-85 -106.1 118.52 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.69 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -78.27 -24.97 46.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -159.99 106.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 pt -74.49 168.19 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' H ' HD12 ' A' ' 14' ' ' LEU . 4.7 mp -74.69 170.53 15.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.524 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.7 m-20 -70.19 160.01 82.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -13.21 34.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.43 141.44 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 11.6 m-85 -116.27 165.42 13.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -146.49 124.51 12.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.577 HG22 ' H ' ' A' ' 21' ' ' ASP . 7.4 p -140.56 168.72 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.577 ' H ' HG22 ' A' ' 20' ' ' VAL . 4.4 p-10 -89.98 144.65 25.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -42.84 152.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.23 25.45 0.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -96.36 -144.49 17.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 ttp85 -143.87 128.96 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.735 HG11 HD21 ' A' ' 91' ' ' LEU . 31.5 m -100.42 166.71 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 21.0 ttp-105 -125.28 129.16 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 65' ' ' LEU . 37.1 m-85 -138.51 107.45 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.434 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 3.8 p -133.29 148.34 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.455 ' CG1' ' CD1' ' A' ' 14' ' ' LEU . 16.3 m -141.19 152.01 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 25.4 tt0 -98.86 157.06 16.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD21 ' CG1' ' A' ' 39' ' ' VAL . 2.8 mt -130.53 122.97 28.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.97 -29.86 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -151.73 148.38 21.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.0 32.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -59.26 -41.94 90.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.7 154.35 11.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -111.04 147.27 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 63' ' ' ARG . 32.7 m -112.61 149.03 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -148.49 123.69 10.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.587 ' HB3' HD12 ' A' ' 48' ' ' ILE . 62.8 m95 -96.22 138.63 33.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.498 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 98.4 m-85 -135.66 149.39 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -132.62 101.1 5.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 71.62 37.09 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.81 34.96 46.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -144.49 135.24 24.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 28.3 tt0 -62.03 137.08 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 41' ' ' TRP . 68.7 mt -96.85 129.63 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -99.69 143.21 26.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 125.88 12.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 t -160.78 171.58 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 p -39.9 -29.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -79.7 -47.26 15.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.506 ' CD1' HG12 ' A' ' 67' ' ' ILE . 95.0 m-85 -101.49 118.22 36.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -105.21 115.96 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -100.58 124.21 45.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.434 ' HG2' ' CG2' ' A' ' 29' ' ' VAL . 7.9 tt0 -150.49 112.82 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.673 ' HG3' HG21 ' A' ' 39' ' ' VAL . 10.8 mmt180 -101.61 107.3 18.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 65' ' ' LEU . 18.9 mt -95.18 154.58 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.4 tm? -148.25 126.47 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.836 ' N ' HD13 ' A' ' 65' ' ' LEU . 77.2 m-85 -119.15 132.26 55.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 54' ' ' TYR . 59.9 mt -118.61 108.5 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -86.07 167.32 15.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 63.3 44.8 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.706 ' O ' HG21 ' A' ' 93' ' ' VAL . 73.5 m -67.79 99.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.504 ' O ' HG11 ' A' ' 93' ' ' VAL . 19.4 tp60 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.81 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.7 p-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -136.63 170.39 16.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.9 125.36 34.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -107.94 141.99 38.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 23.1 p90 -141.45 134.81 29.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 7.2 p -112.56 147.97 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.6 p -119.64 140.09 51.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.78 110.29 4.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.5 -110.09 3.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -115.35 14.38 16.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.822 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 7.7 mm-40 -124.55 157.29 35.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -160.96 141.53 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.8 p -129.82 172.51 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.2 p -148.3 154.75 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -139.67 161.98 36.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -113.01 127.13 56.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 75' ' ' ASP . 3.4 tm? -96.79 131.96 42.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.495 ' N ' HD13 ' A' ' 91' ' ' LEU . 51.3 m-85 -128.53 94.14 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.76 HG12 ' HB3' ' A' ' 75' ' ' ASP . 3.8 p -97.9 112.24 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.783 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.615 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 40.6 m-85 -96.86 118.18 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . . . -74.77 -30.85 61.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -149.31 111.66 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 pt -78.55 172.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HG ' HG12 ' A' ' 30' ' ' VAL . 3.8 mp -84.35 167.31 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.535 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 69.0 m-20 -65.01 151.24 93.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.532 0.682 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -9.69 26.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.1 129.72 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 18.6 m-85 -107.5 165.11 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.424 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 32.3 mt-30 -147.1 124.12 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.539 HG22 ' H ' ' A' ' 21' ' ' ASP . 3.3 p -144.93 168.71 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.539 ' H ' HG22 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -91.79 147.69 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 3.5 ttmp? -47.67 158.96 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 38.49 33.47 0.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.446 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.56 -144.56 11.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -145.38 125.67 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.859 HG11 HD21 ' A' ' 91' ' ' LEU . 12.9 m -96.22 166.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 33.6 ttm180 -126.09 123.53 38.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 65' ' ' LEU . 43.2 m-85 -131.61 107.48 8.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -129.67 141.89 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG12 ' HG ' ' A' ' 14' ' ' LEU . 28.5 m -134.05 171.46 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 11' ' ' ALA . 27.1 tt0 -126.93 156.06 42.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 mt -129.94 133.03 46.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -27.8 65.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -152.09 145.12 17.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -10.08 27.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 5.5 pttt -68.81 -29.12 67.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.783 HD13 ' HB1' ' A' ' 9' ' ' ALA . 47.3 mt -78.71 143.61 36.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 178.4 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG11 ' HG3' ' A' ' 63' ' ' ARG . 26.2 m -143.65 140.91 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -141.39 123.52 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -96.69 133.1 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.53 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.1 m-85 -129.74 148.74 51.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HB2' HD11 ' A' ' 48' ' ' ILE . 63.1 tttt -128.53 99.04 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 72.55 39.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.87 33.76 59.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -141.89 137.22 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.42 129.95 41.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.462 HD11 ' HB2' ' A' ' 43' ' ' LYS . 69.5 mt -90.22 139.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -105.88 142.39 24.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 120.43 7.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.274 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.2 p -158.96 170.9 21.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -38.96 -38.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -68.38 -48.87 63.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CD1' HG12 ' A' ' 67' ' ' ILE . 97.2 m-85 -100.51 116.22 31.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.19 105.05 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -92.15 114.09 26.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 64' ' ' ILE . 51.2 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -133.39 138.69 46.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.438 ' HG3' HG11 ' A' ' 39' ' ' VAL . 22.4 mmt-85 -126.77 120.0 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.9 mp -108.42 156.07 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.751 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.5 tm? -149.19 129.33 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.751 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.3 m-85 -124.14 129.43 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.5 HG12 ' CD1' ' A' ' 54' ' ' TYR . 62.7 mt -112.55 113.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -87.39 154.41 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 72.08 43.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.45 ' SG ' HG13 ' A' ' 26' ' ' VAL . 73.6 m -68.42 103.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.858 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.52 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.828 0.347 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 m -131.48 162.14 30.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -79.73 106.78 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -91.31 146.06 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.0 p90 -153.89 132.65 12.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.97 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.0 p -110.32 149.21 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.5 p -121.32 136.89 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.615 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -146.03 108.17 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.046 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.23 -106.4 1.83 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -118.94 8.58 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -123.28 158.88 29.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -165.66 146.65 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.9 t -129.17 172.55 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 p -142.86 150.82 40.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.2 t -135.99 156.29 48.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -110.72 127.93 55.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.859 HD21 HG11 ' A' ' 26' ' ' VAL . 2.5 tm? -97.02 124.73 41.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.671 ' N ' HD13 ' A' ' 91' ' ' LEU . 51.8 m-85 -116.92 94.24 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.5 p -89.09 116.24 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.329 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 44.4 m-85 -95.86 111.4 23.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.6 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.98 107.71 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.3 pt -79.6 168.74 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.502 ' H ' HD12 ' A' ' 14' ' ' LEU . 4.3 mp -76.66 171.74 14.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 13.2 m-20 -71.63 157.72 89.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.716 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.84 27.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.72 144.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.517 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 8.7 m-85 -123.15 161.24 24.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -149.28 129.18 13.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.654 HG11 HG13 ' A' ' 26' ' ' VAL . 10.0 p -145.57 169.58 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.61 ' H ' HG22 ' A' ' 20' ' ' VAL . 10.1 t70 -85.15 153.34 22.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 13.1 ttpp -51.65 153.8 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 39.43 26.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -94.43 -147.17 21.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -144.52 122.16 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.727 HG11 HD21 ' A' ' 91' ' ' LEU . 12.9 m -95.04 168.85 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 54.8 ttp180 -128.7 124.99 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LEU . 38.1 m-85 -131.45 107.93 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 p -125.84 143.5 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.72 165.9 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -124.49 151.6 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD11 ' CG1' ' A' ' 39' ' ' VAL . 4.3 mt -131.43 123.6 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.76 -29.42 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -147.91 141.74 15.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -28.85 24.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -48.44 -35.05 12.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.51 HD13 ' HB1' ' A' ' 9' ' ' ALA . 22.7 mt -68.13 155.14 40.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -103.15 154.35 19.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.668 ' CG1' HD11 ' A' ' 32' ' ' LEU . 27.7 m -120.57 140.39 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 86.5 mttt -142.24 124.14 15.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.462 ' CH2' ' HB3' ' A' ' 28' ' ' PHE . 70.2 m95 -96.7 136.95 36.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 60.2 m-85 -131.6 149.51 52.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HB2' HD11 ' A' ' 48' ' ' ILE . 32.5 tttt -131.72 104.95 7.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.1 t30 63.18 45.83 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.39 34.93 86.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -143.41 123.86 13.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.97 130.48 47.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' A' ' 43' ' ' LYS . 80.7 mt -87.71 131.87 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -97.63 142.17 24.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 123.31 9.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -160.14 173.14 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.2 p -45.49 -31.67 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -73.95 -45.97 47.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -101.67 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.12 105.3 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -94.07 115.56 27.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 64' ' ' ILE . 30.2 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.741 0.305 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -149.33 133.58 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.651 ' HG3' HG21 ' A' ' 39' ' ' VAL . 18.7 mmt180 -125.11 114.68 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.7 mp -98.76 153.83 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.768 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.4 tm? -146.72 127.61 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.689 ' N ' HD13 ' A' ' 65' ' ' LEU . 89.1 m-85 -119.62 134.31 55.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.43 HG13 ' CD1' ' A' ' 65' ' ' LEU . 52.8 mt -118.41 109.38 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -81.95 158.9 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 62.13 52.23 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.723 ' O ' HG21 ' A' ' 93' ' ' VAL . 73.0 m -71.23 102.78 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.882 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.687 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.763 0.316 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 34.5 m -136.71 172.96 12.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.19 129.37 34.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 76' ' ' SER . 51.4 m-85 -111.99 152.35 28.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 41.8 p90 -157.42 129.11 6.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.407 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 10.1 p -110.6 144.28 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.0 p -115.52 144.22 44.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.659 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -153.42 108.95 3.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.92 -112.07 4.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.09 17.46 16.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -137.35 159.51 41.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -161.84 153.27 18.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.38 166.02 22.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.2 p -137.76 147.56 44.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -133.17 173.09 11.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -125.32 141.02 52.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.727 HD21 HG11 ' A' ' 26' ' ' VAL . 3.2 tm? -113.3 131.83 55.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.473 ' N ' HD13 ' A' ' 91' ' ' LEU . 50.3 m-85 -125.59 92.67 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.723 HG21 ' O ' ' A' ' 70' ' ' CYS . 2.4 p -95.19 118.46 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.803 0.335 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 32.2 m-85 -108.37 110.63 22.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.788 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -67.98 -30.68 70.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -144.3 107.55 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 pt -79.48 159.95 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.52 HD21 HG13 ' A' ' 30' ' ' VAL . 5.6 mt -72.72 139.2 47.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.529 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.1 m-20 -44.22 157.73 0.29 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 110.812 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.73 36.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.05 147.68 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.529 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 19.3 m-85 -124.2 165.36 17.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -148.01 126.31 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.541 ' HB ' HG12 ' A' ' 26' ' ' VAL . 8.3 p -141.47 161.88 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' N ' HG22 ' A' ' 20' ' ' VAL . 1.7 p30 -83.27 148.04 27.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 30.7 tttm -42.17 154.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 35.39 35.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -102.52 -145.25 15.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -144.92 122.98 12.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.979 HG11 HD21 ' A' ' 91' ' ' LEU . 35.8 m -92.51 167.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 60.3 ttp180 -126.13 129.52 49.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LEU . 60.7 m-85 -140.2 107.5 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 5.8 p -133.86 147.66 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.52 HG13 HD21 ' A' ' 14' ' ' LEU . 30.0 m -143.03 148.85 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.788 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 1.1 mp0 -100.93 155.93 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -126.87 126.23 42.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.07 -26.85 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -149.66 143.72 17.06 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.633 0.73 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.94 35.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.615 2.21 . . . . 0.0 112.359 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.87 -32.84 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.621 HD13 ' HB1' ' A' ' 9' ' ' ALA . 65.8 mt -69.03 134.21 49.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -85.47 167.93 15.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.553 HG21 ' HG3' ' A' ' 63' ' ' ARG . 17.4 m -136.02 139.93 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -143.69 123.86 13.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.596 ' HB3' HD12 ' A' ' 48' ' ' ILE . 54.7 m95 -93.41 141.79 28.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.546 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 98.0 m-85 -139.93 149.83 43.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -125.36 102.8 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 61.2 32.12 19.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.16 25.86 30.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -126.59 129.54 48.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -66.48 113.54 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 41' ' ' TRP . 61.9 mt -74.87 149.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.29 147.33 49.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.704 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 115.34 4.04 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.3 m -149.23 167.44 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 p -44.21 -31.97 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -74.65 -38.92 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -105.87 114.39 28.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mm -93.41 103.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -92.95 115.01 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.4 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HG2' ' CG2' ' A' ' 29' ' ' VAL . 6.8 tt0 -145.38 130.8 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HG3' HG21 ' A' ' 39' ' ' VAL . 79.4 mmt-85 -113.04 114.04 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.4 mt -99.21 155.22 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.755 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.4 tm? -151.2 129.14 11.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.755 ' N ' HD13 ' A' ' 65' ' ' LEU . 96.7 m-85 -121.97 137.71 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.527 ' HB ' HG22 ' A' ' 26' ' ' VAL . 46.0 mt -118.54 108.33 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -84.42 163.4 19.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 62.79 46.7 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.714 ' SG ' HG13 ' A' ' 26' ' ' VAL . 73.3 m -65.02 100.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.427 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -132.17 161.21 33.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.65 108.6 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -93.0 136.65 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 42' ' ' TYR . 13.9 p90 -144.52 134.42 23.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 p -113.68 150.25 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 p -121.43 137.54 54.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.581 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -148.54 111.88 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.461 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . 70.58 -113.06 4.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -115.95 16.81 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.835 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 20.2 mm-40 -131.57 159.74 37.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -165.86 148.98 7.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.68 174.53 10.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -143.12 168.01 20.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -146.93 165.74 28.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -116.34 126.54 53.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.979 HD21 HG11 ' A' ' 26' ' ' VAL . 1.9 tm? -96.76 126.3 41.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.797 ' N ' HD13 ' A' ' 91' ' ' LEU . 56.6 m-85 -117.83 99.36 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 75' ' ' ASP . 2.3 p -96.2 116.65 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.732 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.833 0.349 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -99.14 119.18 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.07 -33.14 57.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.28 109.75 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -78.27 171.82 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD11 HG11 ' A' ' 30' ' ' VAL . 3.8 mp -80.61 170.81 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.07 159.75 78.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.729 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.7 26.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.746 2.298 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.95 149.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -124.48 163.96 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -150.21 127.52 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG22 ' N ' ' A' ' 21' ' ' ASP . 8.0 p -138.73 163.22 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.514 ' N ' HG22 ' A' ' 20' ' ' VAL . 4.5 p-10 -81.94 141.23 33.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 55.7 tttt -37.25 148.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 39.76 30.67 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.68 -143.69 15.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -144.77 125.17 13.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.054 HG11 HD21 ' A' ' 91' ' ' LEU . 35.0 m -92.94 168.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.42 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 72.9 ttp85 -129.05 130.92 47.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -139.22 109.89 6.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -128.06 132.27 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG11 HD11 ' A' ' 14' ' ' LEU . 33.8 m -131.04 152.11 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -108.74 159.07 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.73 HD21 ' CG1' ' A' ' 39' ' ' VAL . 3.6 mt -131.07 124.73 31.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.61 -30.16 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 3.2 t70 -145.2 140.93 16.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.76 -17.91 37.31 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -63.44 -40.07 96.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.732 HD13 ' HB1' ' A' ' 9' ' ' ALA . 83.8 mt -63.73 155.66 29.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -111.11 153.28 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.73 ' CG1' HD21 ' A' ' 32' ' ' LEU . 35.5 m -115.9 146.45 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -141.2 123.56 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -96.75 134.48 39.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 95.9 m-85 -132.08 151.21 51.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -132.69 108.45 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 61.62 42.17 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.67 36.07 67.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -141.53 135.64 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.18 128.8 37.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.2 mt -88.21 134.46 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -103.91 145.2 30.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.16 4.44 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 54' ' ' TYR . 2.5 t -152.85 162.21 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' SER . 53.2 p -35.4 -32.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' SER . 76.5 tttt -72.73 -47.17 49.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.503 ' CD1' HG12 ' A' ' 67' ' ' ILE . 99.3 m-85 -101.99 116.58 32.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mm -98.13 102.64 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.152 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -91.49 116.3 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.781 0.325 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -143.48 124.93 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.723 ' HG3' HG21 ' A' ' 39' ' ' VAL . 4.6 mmm180 -116.63 119.19 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 64' ' ' ILE . 3.9 mp -106.85 157.6 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.9 tm? -148.53 128.67 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.682 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.7 m-85 -122.37 131.84 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.503 HG12 ' CD1' ' A' ' 54' ' ' TYR . 65.9 mt -113.53 115.97 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -87.32 162.45 17.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m120 57.3 54.22 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.653 ' O ' HG21 ' A' ' 93' ' ' VAL . 59.7 m -70.24 99.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.588 ' O ' HG11 ' A' ' 93' ' ' VAL . 4.7 tp-100 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 84.7 p -135.94 172.11 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -92.2 106.81 18.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.68 145.77 24.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 38.3 p90 -147.91 134.99 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.24 139.57 37.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.588 HG22 ' HB2' ' A' ' 86' ' ' LYS . 25.8 p -118.08 141.31 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.5 111.46 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.443 ' CA ' HD22 ' A' ' 37' ' ' LEU . . . 76.41 -108.21 2.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.72 8.89 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -127.75 156.77 41.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.588 ' HB2' HG22 ' A' ' 81' ' ' THR . 16.4 pttm -155.86 151.83 27.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.0 t -129.81 172.94 11.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.4 p -145.77 153.06 40.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -142.88 162.45 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' OE1' ' CE2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -110.84 141.61 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.054 HD21 HG11 ' A' ' 26' ' ' VAL . 1.9 tm? -115.6 122.98 47.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.722 ' N ' HD13 ' A' ' 91' ' ' LEU . 49.9 m-85 -113.85 96.9 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.653 HG21 ' O ' ' A' ' 70' ' ' CYS . 5.4 p -98.23 114.01 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.364 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 52.0 m-85 -91.14 115.59 28.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -77.14 -24.7 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -147.74 107.95 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 pt -80.69 162.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.596 HD21 HG13 ' A' ' 30' ' ' VAL . 5.8 mt -71.4 153.22 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.574 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -53.9 155.13 6.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.613 0.72 . . . . 0.0 110.878 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -11.45 30.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.9 131.33 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 36.7 m-85 -109.62 163.38 13.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 49.8 mt-30 -148.53 124.01 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.477 HG11 HG13 ' A' ' 26' ' ' VAL . 9.8 p -141.59 160.55 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' N ' HG22 ' A' ' 20' ' ' VAL . 6.1 m-20 -76.53 151.19 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 12.5 ttmm -50.9 155.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 39.58 34.66 0.46 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.47 -146.66 14.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -145.08 126.28 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.857 HG11 HD21 ' A' ' 91' ' ' LEU . 20.9 m -94.59 162.47 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.482 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 55.6 ttp180 -129.9 108.04 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -107.16 115.93 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.425 HG13 ' HG2' ' A' ' 62' ' ' GLN . 96.8 t -116.75 140.12 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 14' ' ' LEU . 6.6 m -142.41 144.16 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 11.7 tt0 -108.06 153.38 23.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 HG11 ' A' ' 39' ' ' VAL . 8.6 mt -128.32 118.7 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -38.56 -33.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -151.61 144.08 16.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -13.57 34.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.3 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -61.13 -39.62 90.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.784 HD13 ' HB1' ' A' ' 9' ' ' ALA . 52.2 mt -69.79 163.96 24.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -109.46 173.43 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.729 HG21 ' HG3' ' A' ' 63' ' ' ARG . 32.6 m -137.7 152.35 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -153.08 123.78 7.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.401 ' HB3' HD12 ' A' ' 48' ' ' ILE . 42.1 m95 -95.02 132.54 39.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.55 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 89.9 m-85 -127.01 147.37 50.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -133.69 100.35 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 73.15 39.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.5 37.09 68.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -145.98 139.55 26.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.708 0.29 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.22 131.32 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.539 HG23 ' CE2' ' A' ' 54' ' ' TYR . 71.2 mt -88.23 130.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -98.32 143.94 27.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 121.13 7.83 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -159.19 173.55 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.0 m -42.46 -26.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -82.49 -47.24 12.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.539 ' CE2' HG23 ' A' ' 48' ' ' ILE . 78.2 m-85 -101.24 117.62 35.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mm -108.34 113.82 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -96.01 125.06 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' HG2' HG13 ' A' ' 29' ' ' VAL . 10.5 tt0 -152.23 110.29 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.729 ' HG3' HG21 ' A' ' 39' ' ' VAL . 21.0 mmt180 -93.88 120.14 33.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.555 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 8.4 mt -108.38 135.76 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.1 tm? -131.18 127.37 37.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.781 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.7 m-85 -118.46 131.52 56.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 65' ' ' LEU . 87.1 mt -114.82 104.17 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -79.06 156.01 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.1 t30 67.52 50.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' GLY . 84.1 m -72.93 104.84 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.527 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.804 0.335 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.1 t -133.41 165.18 25.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -80.29 107.6 13.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -93.69 140.86 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.55 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 32.4 p90 -146.04 131.56 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 81' ' ' THR . 7.7 p -110.79 152.68 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.573 HG22 ' HB2' ' A' ' 86' ' ' LYS . 51.7 p -128.97 142.78 50.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -155.49 117.21 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.48 -113.09 4.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -118.48 19.05 13.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -132.12 166.62 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.573 ' HB2' HG22 ' A' ' 81' ' ' THR . 14.8 ptmt -164.5 153.41 13.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.7 t -139.58 169.47 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.5 p -143.49 160.05 41.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 t -148.36 167.0 26.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -117.46 133.43 55.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.857 HD21 HG11 ' A' ' 26' ' ' VAL . 2.0 tm? -102.81 126.82 50.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.789 ' N ' HD13 ' A' ' 91' ' ' LEU . 64.6 m-85 -118.92 98.57 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.3 p -93.53 114.46 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.589 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.805 0.336 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 37.6 m-85 -104.12 108.77 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.66 -24.03 62.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -148.63 108.46 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.1 pt -82.34 167.5 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 30' ' ' VAL . 6.6 mt -78.76 152.26 31.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.7 m-20 -55.19 151.31 18.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.89 128.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 22.6 m-85 -107.94 165.58 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -149.29 123.63 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG22 ' H ' ' A' ' 21' ' ' ASP . 4.8 p -140.71 165.77 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.486 ' H ' HG22 ' A' ' 20' ' ' VAL . 4.1 p-10 -86.15 146.61 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.7 tttt -44.04 157.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 36.6 31.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -102.91 -148.36 20.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 15.7 ttp-105 -141.43 128.17 20.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.851 HG11 HD21 ' A' ' 91' ' ' LEU . 31.5 m -96.15 168.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 20.7 ttp-105 -126.53 126.11 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' LEU . 37.7 m-85 -136.22 107.99 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 p -125.95 136.15 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.76 HG11 HG11 ' A' ' 80' ' ' VAL . 13.3 m -127.08 137.13 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -102.63 138.84 39.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.558 HD21 HG12 ' A' ' 39' ' ' VAL . 4.8 mt -114.99 135.27 54.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.06 -23.84 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -156.41 142.27 12.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -16.13 37.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -57.0 -34.56 68.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD13 ' HB1' ' A' ' 9' ' ' ALA . 33.1 mt -78.26 153.42 31.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -105.6 147.0 28.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.758 HG21 ' HG3' ' A' ' 63' ' ' ARG . 27.9 m -106.89 148.2 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 18.7 mtmt -147.11 123.99 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.428 ' HB3' HD12 ' A' ' 48' ' ' ILE . 74.2 m95 -96.35 143.97 26.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.554 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.7 m-85 -142.38 146.29 34.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -130.05 102.39 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.8 t30 69.46 41.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.74 35.05 73.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -142.31 136.3 29.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -66.81 132.05 47.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 41' ' ' TRP . 95.8 mt -87.42 140.29 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -110.33 142.05 25.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 117.99 5.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -149.42 178.66 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 t -55.28 -17.27 4.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -90.25 -34.42 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -105.76 122.01 45.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mm -106.04 106.49 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -98.86 121.23 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.744 0.307 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -150.19 129.96 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.758 ' HG3' HG21 ' A' ' 39' ' ' VAL . 12.0 mmm180 -120.25 111.08 17.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.8 mp -101.34 155.53 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.6 tm? -146.64 128.34 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 98.4 m-85 -124.05 119.35 29.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.7 mt -101.97 118.62 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -92.49 167.0 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 61.24 41.06 13.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 93.3 m -65.04 100.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.736 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.798 0.333 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.7 t -134.36 172.82 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.38 135.93 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -123.33 154.48 38.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 32.9 p90 -159.28 135.21 8.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.76 HG11 HG11 ' A' ' 30' ' ' VAL . 11.0 p -114.52 140.48 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 86' ' ' LYS . 43.8 p -115.6 144.66 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.614 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -156.19 106.89 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.57 -118.66 5.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.27 19.22 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -134.93 162.26 32.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' HB2' HG22 ' A' ' 81' ' ' THR . 32.7 pttt -165.78 151.25 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.76 166.91 20.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 p -136.94 146.97 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.4 t -139.97 157.51 45.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.41 137.85 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.851 HD21 HG11 ' A' ' 26' ' ' VAL . 2.9 tm? -105.01 126.9 52.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.655 ' N ' HD13 ' A' ' 91' ' ' LEU . 59.6 m-85 -117.92 96.23 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.736 HG12 ' HB2' ' A' ' 75' ' ' ASP . 2.7 p -98.95 113.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 11.9 mtp-105 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.86 0.362 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 31.3 m-85 -103.25 102.48 12.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.04 68.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' N ' ' HB3' ' A' ' 31' ' ' GLU . 39.1 tptt -148.23 111.19 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 pt -84.84 172.04 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.7 178.64 8.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.1 m-20 -80.36 158.41 71.68 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.63 0.729 . . . . 0.0 110.88 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -14.0 35.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.52 133.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 18.4 m-85 -107.96 166.52 10.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -148.07 125.24 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.473 ' HB ' HG12 ' A' ' 26' ' ' VAL . 7.0 p -142.07 164.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' N ' HG22 ' A' ' 20' ' ' VAL . 61.5 m-20 -87.87 145.82 25.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 12.6 ttmm -42.02 154.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.42 36.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.99 -143.51 12.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -145.11 122.85 11.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.667 HG11 HD21 ' A' ' 91' ' ' LEU . 24.0 m -94.56 163.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -122.65 125.52 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -135.43 107.39 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -127.36 152.47 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 80' ' ' VAL . 16.3 m -142.9 165.91 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HB3' ' N ' ' A' ' 12' ' ' LYS . 26.8 tt0 -125.32 153.49 43.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mt -131.28 128.82 40.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.47 -25.35 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -154.88 142.2 13.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.718 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.05 37.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.317 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -55.46 -40.74 71.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.29 157.81 37.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -105.28 168.13 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.0 m -128.18 148.81 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -150.06 123.43 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.5 ' HB3' HD12 ' A' ' 48' ' ' ILE . 65.8 m95 -95.55 132.61 40.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.576 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 96.3 m-85 -128.56 141.82 51.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.001 0.429 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -124.77 102.03 7.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 70.03 37.91 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.75 35.21 55.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -144.69 132.51 21.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -62.03 134.81 57.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 41' ' ' TRP . 77.3 mt -91.5 137.92 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -100.09 136.84 20.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 122.53 9.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 t -159.96 174.85 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -42.83 -35.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -70.51 -46.46 63.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -101.13 113.87 27.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mm -98.07 106.99 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -96.75 119.12 34.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' O ' HD12 ' A' ' 64' ' ' ILE . 65.7 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -148.31 111.75 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -103.73 125.01 49.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 57' ' ' GLU . 3.4 mp -108.95 147.14 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.8 tm? -137.09 126.92 25.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.447 ' N ' HD13 ' A' ' 65' ' ' LEU . 73.3 m-85 -120.38 127.71 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.5 mt -114.08 113.62 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -88.64 157.92 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 67.55 48.77 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.507 ' SG ' HG13 ' A' ' 26' ' ' VAL . 81.7 m -70.17 97.63 1.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.408 ' O ' HG11 ' A' ' 93' ' ' VAL . 1.3 tp-100 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -134.72 168.53 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -84.75 125.74 32.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -113.25 143.82 43.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.5 p90 -151.27 127.15 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 30' ' ' VAL . 11.3 p -106.24 143.54 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.7 p -116.45 135.78 53.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -145.12 106.71 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.36 -113.18 4.16 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.26 18.52 16.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -137.8 157.38 46.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -163.53 157.41 19.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.0 177.81 7.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -144.32 164.83 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -150.78 168.38 24.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -121.9 130.69 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.667 HD21 HG11 ' A' ' 26' ' ' VAL . 3.4 tm? -100.05 130.77 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.55 ' N ' HD13 ' A' ' 91' ' ' LEU . 47.7 m-85 -122.97 93.36 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.461 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.6 p -92.58 115.18 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.615 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 17.1 m-85 -102.15 105.82 16.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.714 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -63.06 -33.05 74.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -146.53 127.22 14.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 pt -93.99 152.6 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.644 ' H ' HD12 ' A' ' 14' ' ' LEU . 2.7 mp -64.47 156.26 30.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 2.4 m-20 -55.27 152.36 15.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.836 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.94 24.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.78 130.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 19.5 m-85 -111.36 167.0 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -148.55 123.62 10.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.524 ' HB ' HG12 ' A' ' 26' ' ' VAL . 5.1 p -140.14 162.9 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 20' ' ' VAL . 75.5 m-20 -82.71 150.47 26.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 24' ' ' GLY . 30.5 tttp -47.59 156.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.11 32.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -101.12 -144.53 15.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -144.73 124.91 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 HD21 ' A' ' 91' ' ' LEU . 15.8 m -94.32 168.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.484 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 41.7 ttp180 -131.31 128.54 39.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -135.65 109.45 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -123.88 141.63 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.437 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 34.3 m -143.31 150.34 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.714 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 9.7 mp0 -100.8 152.13 20.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' A' ' 39' ' ' VAL . 7.5 mt -124.25 115.51 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.94 -28.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 68.4 m-20 -153.53 145.89 17.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.0 29.3 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -59.16 -40.24 84.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.615 HD13 ' HB1' ' A' ' 9' ' ' ALA . 94.4 mt -60.68 145.75 48.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -95.51 161.26 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.565 ' CG1' HD21 ' A' ' 32' ' ' LEU . 20.4 m -129.81 140.04 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 17.9 mmtp -140.75 127.97 20.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.419 ' HB3' HD12 ' A' ' 48' ' ' ILE . 52.2 m95 -100.37 133.26 45.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 47' ' ' GLU . 90.4 m-85 -129.66 152.47 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 43.4 tttt -133.16 100.78 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.3 t30 66.04 45.1 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.96 34.63 71.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -140.25 120.29 13.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 42' ' ' TYR . 20.6 tt0 -56.93 134.53 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 41' ' ' TRP . 57.4 mt -96.1 134.92 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -106.67 144.21 28.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 122.19 8.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -157.43 -177.51 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 t -51.89 -21.64 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 54' ' ' TYR . 19.6 ttpt -87.3 -46.47 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.52 ' CD1' HG12 ' A' ' 67' ' ' ILE . 94.4 m-85 -100.63 118.66 37.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mm -101.53 106.1 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -93.23 115.73 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.496 ' NE2' ' OE2' ' A' ' 31' ' ' GLU . 39.6 tt0 -147.12 108.11 4.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.499 ' HG3' HG21 ' A' ' 39' ' ' VAL . 23.9 mmt180 -102.97 114.62 29.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.48 HG21 ' CE2' ' A' ' 66' ' ' PHE . 3.7 mp -101.22 153.83 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.832 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.3 tm? -144.17 126.57 15.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.832 ' N ' HD13 ' A' ' 65' ' ' LEU . 96.5 m-85 -121.27 134.8 55.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CD1' ' A' ' 54' ' ' TYR . 50.9 mt -117.84 118.4 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -90.78 160.96 15.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 62.3 51.83 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' GLY . 71.9 m -69.8 101.04 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.842 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.603 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -136.4 173.5 11.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.56 107.27 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 43' ' ' LYS . 36.6 m-85 -97.2 151.86 19.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.2 p90 -157.95 134.99 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.594 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 10.8 p -108.68 147.33 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.104 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.6 p -122.18 136.2 54.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.95 109.47 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.57 -110.73 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -119.31 20.66 12.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 5.8 mm-40 -132.85 161.85 33.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -162.37 146.61 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.437 ' SG ' HD12 ' A' ' 14' ' ' LEU . 7.2 p -131.08 158.03 41.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.5 p -132.92 155.3 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.1 t -143.39 170.41 15.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -122.04 124.68 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 92' ' ' PHE . 3.4 tm? -97.76 134.26 41.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.633 ' N ' HD13 ' A' ' 91' ' ' LEU . 63.6 m-85 -124.69 95.45 4.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.603 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.4 p -91.85 114.48 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 45.7 m-85 -92.95 105.79 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.07 65.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -152.88 109.29 3.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.7 pp -82.43 158.57 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.3 mt -64.79 147.89 52.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.581 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.3 m-20 -49.45 161.1 0.51 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -15.18 36.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.45 134.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 29.1 m-85 -110.35 162.15 14.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.417 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 54.1 mt-30 -148.44 126.75 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.53 HG11 HG13 ' A' ' 26' ' ' VAL . 6.3 p -138.64 158.46 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -78.94 143.82 35.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 11.2 ttmt -43.81 152.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 42.23 34.01 1.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.31 -144.44 11.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.513 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 16.2 ttm105 -144.7 127.0 15.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.627 HG11 HD21 ' A' ' 91' ' ' LEU . 10.0 m -93.61 159.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -127.27 114.01 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -116.42 108.52 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.5 HG13 ' OE1' ' A' ' 62' ' ' GLN . 56.9 t -108.29 142.84 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 63' ' ' ARG . 20.5 m -142.99 135.88 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -99.53 160.66 14.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -138.71 129.67 26.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.15 -25.07 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -149.87 143.28 16.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.566 0.698 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -29.36 24.22 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -56.34 -29.0 60.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 13.5 mt -65.03 153.42 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -111.14 145.64 38.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG21 ' HG3' ' A' ' 63' ' ' ARG . 18.5 m -111.86 145.41 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -145.11 123.48 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.427 ' HB3' HD12 ' A' ' 48' ' ' ILE . 45.1 m95 -97.32 128.48 44.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.558 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.1 m-85 -126.08 150.83 47.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -129.76 102.38 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 m120 64.04 33.46 12.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.93 25.48 40.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -127.83 134.71 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.01 126.87 30.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' A' ' 41' ' ' TRP . 61.0 mt -90.13 134.9 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -107.77 143.61 27.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.688 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 118.95 5.99 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.334 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 54' ' ' TYR . 20.9 p -149.2 173.18 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.7 m -40.92 -31.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -79.41 -40.6 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' SER . 72.3 m-85 -102.09 113.98 27.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.5 mm -101.3 102.68 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -85.5 116.68 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.76 0.314 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.5 ' OE1' HG13 ' A' ' 29' ' ' VAL . 2.3 tt0 -146.78 142.95 28.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 30' ' ' VAL . 25.9 mmt180 -130.08 120.86 25.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -111.75 153.62 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.684 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.9 tm? -139.35 127.6 22.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.674 ' N ' HD13 ' A' ' 65' ' ' LEU . 94.2 m-85 -118.03 139.96 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.411 HG13 ' CD1' ' A' ' 65' ' ' LEU . 60.5 mt -127.57 100.43 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -74.32 158.4 34.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 65.63 50.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' GLY . 86.7 m -69.9 100.5 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' HG11 ' A' ' 93' ' ' VAL . 6.5 tp-100 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.738 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.464 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -136.37 170.85 15.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -82.23 132.17 35.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CE1' ' O ' ' A' ' 76' ' ' SER . 61.0 m-85 -123.05 143.13 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 20.2 p90 -148.45 125.97 11.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.475 HG12 ' SG ' ' A' ' 87' ' ' CYS . 11.9 p -104.99 145.6 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.6 p -121.32 136.36 54.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.598 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -147.21 110.46 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.96 -109.04 2.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -121.36 20.76 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.74 0.305 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -138.63 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 87' ' ' CYS . 0.2 OUTLIER -164.28 168.36 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 15.1 p -149.07 136.9 20.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.0 m -114.66 157.45 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -146.87 170.57 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -122.8 127.96 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 75' ' ' ASP . 3.2 tm? -97.24 136.31 37.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' N ' HD13 ' A' ' 91' ' ' LEU . 33.1 m-85 -128.66 93.47 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.738 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.6 p -92.67 108.51 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.777 0.322 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.473 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 23.8 m-85 -95.95 109.68 22.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -66.01 -31.36 72.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -149.54 107.73 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.5 pp -77.34 149.37 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.837 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.3 mp -48.75 145.31 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.446 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.2 m-20 -45.58 159.83 0.29 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -16.01 37.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.16 133.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 42.5 m-85 -107.61 157.74 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -143.12 126.06 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.505 HG11 HG13 ' A' ' 26' ' ' VAL . 5.5 p -143.13 161.55 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.158 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 20' ' ' VAL . 5.7 t0 -79.36 150.75 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' GLY . 18.3 ttpp -47.27 156.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 34.22 38.87 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.479 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.66 -146.95 13.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -141.96 127.85 19.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.728 HG11 HD21 ' A' ' 91' ' ' LEU . 5.4 m -96.66 168.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 70.9 ttp85 -136.81 108.1 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -107.66 112.54 25.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -112.26 142.57 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.478 HG11 HD11 ' A' ' 14' ' ' LEU . 27.2 m -145.73 135.7 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 34.0 mt-10 -101.85 145.97 28.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD21 HG12 ' A' ' 39' ' ' VAL . 4.2 mt -120.39 121.53 38.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.28 -35.36 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -143.66 143.89 25.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -25.99 28.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -54.05 -43.55 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD13 ' HB1' ' A' ' 9' ' ' ALA . 89.2 mt -62.91 145.91 54.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 39' ' ' VAL . 4.8 tp10 -96.61 157.25 15.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.804 HG21 ' HG3' ' A' ' 63' ' ' ARG . 28.4 m -121.1 141.23 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.494 ' O ' HG23 ' A' ' 80' ' ' VAL . 13.7 mtmm -137.93 126.88 24.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -99.5 135.8 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.577 ' CD1' ' HA ' ' A' ' 47' ' ' GLU . 94.7 m-85 -135.9 150.38 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -133.65 105.62 6.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 66.53 40.48 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' C ' ' HG3' ' A' ' 46' ' ' GLN . . . 68.67 38.35 85.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.405 ' HG3' ' C ' ' A' ' 45' ' ' GLY . 31.6 mt-30 -145.97 114.57 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 25.1 tt0 -48.16 141.87 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 54' ' ' TYR . 77.2 mt -101.48 138.3 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -104.13 143.3 26.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.03 4.37 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -156.81 174.46 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.8 m -40.84 -36.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -73.07 -47.02 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 48' ' ' ILE . 71.3 m-85 -103.02 114.0 27.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 mm -102.73 101.48 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -89.26 119.41 29.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -140.73 105.9 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.804 ' HG3' HG21 ' A' ' 39' ' ' VAL . 19.5 mmt180 -92.49 121.16 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.451 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 9.8 mt -106.74 141.34 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.85 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.4 tm? -131.88 126.36 34.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.85 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.4 m-85 -117.58 130.97 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.495 ' CD1' ' CE2' ' A' ' 78' ' ' TYR . 72.7 mt -117.1 110.64 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -86.52 152.97 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.7 t30 72.76 51.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 77.7 m -73.3 108.55 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.484 ' O ' HG11 ' A' ' 93' ' ' VAL . 1.8 tp-100 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.496 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.841 0.353 . . . . 0.0 110.852 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 m -136.99 171.41 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -91.18 107.31 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 35.0 m-85 -87.06 153.58 21.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 19.1 p90 -158.51 123.13 4.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 40' ' ' LYS . 14.8 p -103.52 148.79 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.4 p -122.66 131.92 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -133.79 98.84 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.78 -114.26 4.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -107.97 30.56 6.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -148.34 171.88 15.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -163.09 168.25 21.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 13' ' ' ILE . 2.3 m -128.0 -174.97 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 p -163.68 143.49 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.2 t -148.69 165.81 30.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -119.89 129.43 54.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.728 HD21 HG11 ' A' ' 26' ' ' VAL . 3.5 tm? -96.16 126.45 41.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.428 ' N ' HD13 ' A' ' 91' ' ' LEU . 41.3 m-85 -122.21 93.14 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.484 HG11 ' O ' ' A' ' 71' ' ' GLN . 2.5 p -94.6 116.33 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.767 0.318 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 17.7 m-85 -97.85 114.6 26.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.871 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -69.42 -28.68 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -152.21 107.01 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 pt -73.61 150.73 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.585 HD22 ' HD2' ' A' ' 28' ' ' PHE . 9.1 mt -54.56 145.29 19.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -50.5 156.88 1.38 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -13.55 34.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.06 137.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 7.7 m-85 -108.74 164.27 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -147.35 119.1 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.513 ' HB ' HG12 ' A' ' 26' ' ' VAL . 6.1 p -143.76 158.6 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.75 150.61 34.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' GLY . 20.9 ttpt -47.0 153.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.36 34.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -99.45 -143.98 15.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -144.12 120.62 11.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.601 HG13 ' SG ' ' A' ' 70' ' ' CYS . 34.0 m -92.98 168.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.63 ' NH2' HG21 ' A' ' 29' ' ' VAL . 25.2 ttt-85 -139.3 108.02 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.585 ' HD2' HD22 ' A' ' 14' ' ' LEU . 5.1 m-85 -104.94 108.49 20.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.63 HG21 ' NH2' ' A' ' 27' ' ' ARG . 98.0 t -104.93 139.8 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 63' ' ' ARG . 26.8 m -144.05 141.6 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.871 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -107.87 153.58 22.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 HH11 ' A' ' 63' ' ' ARG . 6.3 mt -127.95 134.35 49.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.99 -31.38 60.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -153.97 143.71 15.29 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.655 0.741 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.47 16.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.73 2.287 . . . . 0.0 112.376 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.55 -33.2 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.62 162.2 29.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -106.4 169.76 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.0 HG21 ' HG2' ' A' ' 63' ' ' ARG . 16.6 m -139.89 139.54 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 43.2 mttt -144.3 124.02 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.436 ' C ' HD12 ' A' ' 48' ' ' ILE . 51.1 m95 -96.32 132.31 41.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.586 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 95.5 m-85 -127.87 149.33 50.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -132.08 105.96 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.9 m120 64.94 42.37 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.7 35.75 74.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -140.94 121.31 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 42' ' ' TYR . 49.2 tt0 -57.05 129.32 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.436 HD12 ' C ' ' A' ' 41' ' ' TRP . 23.8 mt -92.4 143.12 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.66 147.11 39.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 119.29 6.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.396 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' THR . 31.9 p -157.74 171.71 19.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' SER . 24.5 p -35.87 -38.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.157 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -74.91 -49.48 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -102.88 114.49 28.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mm -102.36 107.31 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -88.93 115.59 26.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.767 0.318 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -147.11 109.14 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 1.0 ' HG2' HG21 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -97.57 105.93 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.446 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.6 mp -95.98 151.12 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.563 HD13 ' N ' ' A' ' 66' ' ' PHE . 3.1 tm? -138.35 127.69 24.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.563 ' N ' HD13 ' A' ' 65' ' ' LEU . 98.0 m-85 -115.8 125.41 52.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.437 ' HB ' HG22 ' A' ' 26' ' ' VAL . 25.3 mt -112.14 109.26 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -86.8 159.61 19.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 65.71 39.08 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.654 ' O ' HG21 ' A' ' 93' ' ' VAL . 92.1 m -61.75 99.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.603 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.5 m -136.72 173.17 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -89.95 107.02 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -89.28 147.51 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 34.8 p90 -148.85 128.92 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.56 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 8.2 p -107.74 145.64 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.516 HG22 ' CB ' ' A' ' 86' ' ' LYS . 67.1 p -121.12 132.86 55.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.506 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -134.8 99.67 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.28 -113.1 4.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.18 26.03 11.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -142.86 159.67 41.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.516 ' CB ' HG22 ' A' ' 81' ' ' THR . 8.0 pttp -166.16 151.04 8.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 18.8 p -131.14 172.53 12.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 m -138.74 157.63 45.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 t -150.41 164.08 36.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -114.44 134.92 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 75' ' ' ASP . 2.4 tm? -104.43 121.46 43.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.482 ' N ' HD22 ' A' ' 91' ' ' LEU . 56.7 m-85 -113.14 93.38 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.654 HG21 ' O ' ' A' ' 70' ' ' CYS . 2.7 p -95.11 111.94 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 44.6 m-85 -106.74 110.3 22.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.27 -26.87 47.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 108.73 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.3 pt -82.09 175.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.565 HD11 HG11 ' A' ' 30' ' ' VAL . 3.6 mp -85.85 155.17 21.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.11 153.8 6.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.72 21.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.284 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.04 128.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -107.45 161.06 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -144.13 128.52 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.544 ' HB ' HG12 ' A' ' 26' ' ' VAL . 4.3 p -144.11 165.14 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.465 ' H ' HG22 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -84.6 155.82 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -54.66 154.51 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.437 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 41.33 28.75 0.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.17 -145.96 17.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -145.96 128.83 16.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.605 HG13 ' SG ' ' A' ' 70' ' ' CYS . 20.3 m -94.56 168.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.489 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 27.5 ttm180 -133.46 121.65 22.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -122.58 107.99 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.811 HG13 ' OE1' ' A' ' 62' ' ' GLN . 45.7 t -108.02 140.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG11 HD11 ' A' ' 14' ' ' LEU . 25.3 m -148.27 136.63 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -102.93 162.54 12.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD21 ' CG1' ' A' ' 39' ' ' VAL . 5.7 mt -132.08 127.75 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.04 -20.35 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -158.56 144.44 12.35 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.35 24.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.262 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -58.2 -24.39 58.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -74.55 140.59 44.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -89.54 164.53 14.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.491 HG21 ' HG3' ' A' ' 63' ' ' ARG . 13.5 m -136.5 143.57 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 23.3 mmtp -144.73 125.3 14.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -96.37 135.11 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 93.7 m-85 -135.31 149.64 49.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -129.6 112.71 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 55.93 29.69 14.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.32 28.38 27.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.07 122.76 36.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 44.0 tt0 -63.3 115.43 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.6 mt -85.39 137.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 153.83 48.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 121.07 7.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.384 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' TYR . 3.9 m -160.18 169.46 23.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 74.6 m -37.92 -37.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -75.48 -43.32 49.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' SER . 57.6 m-85 -103.49 113.95 27.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mm -98.56 103.65 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -89.63 116.14 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.4 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.761 0.315 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.811 ' OE1' HG13 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -145.96 132.25 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.491 ' HG3' HG21 ' A' ' 39' ' ' VAL . 13.4 mmm180 -117.61 129.58 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.501 HD11 ' NE2' ' A' ' 62' ' ' GLN . 3.9 mp -111.32 150.36 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.569 HD13 ' N ' ' A' ' 66' ' ' PHE . 3.3 tm? -134.4 128.97 34.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' N ' HD13 ' A' ' 65' ' ' LEU . 78.1 m-85 -119.32 128.05 53.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 65' ' ' LEU . 50.4 mt -116.17 113.2 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -90.91 156.9 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 74.96 42.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.605 ' SG ' HG13 ' A' ' 26' ' ' VAL . 94.2 m -65.92 102.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.529 ' O ' HG11 ' A' ' 93' ' ' VAL . 6.0 tp-100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.634 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -137.13 170.49 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.25 132.6 34.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -115.05 144.03 44.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 28.4 p90 -153.13 123.02 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 p -101.75 145.18 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.9 p -117.72 143.23 46.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.534 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -155.87 113.77 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.26 -109.99 2.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -120.83 12.07 11.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -129.71 167.62 17.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -166.07 152.35 9.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 13.1 p -126.06 169.43 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 p -142.0 158.64 43.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 t -150.77 165.26 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -118.02 130.94 56.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 75' ' ' ASP . 3.2 tm? -97.12 129.69 44.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -122.77 96.56 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.529 HG11 ' O ' ' A' ' 71' ' ' GLN . 2.3 p -95.97 122.38 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 12.8 mtp-105 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.611 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 61.1 m-85 -94.72 125.24 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -84.9 -22.83 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -153.48 107.49 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.6 pt -79.18 166.71 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 30' ' ' VAL . 4.2 mp -80.22 155.05 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 61.8 m-20 -54.32 153.16 10.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.722 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -8.91 24.81 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.71 134.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 22.1 m-85 -111.83 165.87 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -147.13 125.46 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.572 HG11 HG13 ' A' ' 26' ' ' VAL . 4.7 p -145.05 161.49 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -82.49 156.87 23.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.2 ttmt -51.17 152.31 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 36.02 35.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -99.35 -141.48 12.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -143.5 124.8 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.89 HG11 HD21 ' A' ' 91' ' ' LEU . 6.8 m -99.62 164.64 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 25.7 ttm180 -129.33 128.27 42.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.476 ' HZ ' HD23 ' A' ' 91' ' ' LEU . 66.9 m-85 -136.18 107.6 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -123.43 152.53 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 14' ' ' LEU . 8.1 m -148.76 143.43 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 10.1 tt0 -99.29 160.01 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -134.36 132.88 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.57 -32.72 67.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -147.22 143.58 18.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.93 37.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -63.35 -34.54 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.627 HD13 ' HB1' ' A' ' 9' ' ' ALA . 79.1 mt -67.25 155.04 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.02 153.69 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.602 HG11 ' HG3' ' A' ' 63' ' ' ARG . 30.1 m -118.28 146.76 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 21.0 mmtp -149.21 123.5 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.46 ' HB3' HD12 ' A' ' 48' ' ' ILE . 63.1 m95 -96.3 128.15 42.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.582 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 98.6 m-85 -125.56 144.31 50.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -128.51 109.87 11.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.5 m120 62.93 35.26 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.87 36.83 40.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -144.86 141.04 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -68.83 136.72 53.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 41' ' ' TRP . 50.8 mt -96.15 131.08 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -104.36 143.89 27.59 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.9 12.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 t -155.05 178.59 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 t -49.69 -18.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 54' ' ' TYR . 28.5 ttpt -91.94 -41.78 10.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.677 ' C ' HD12 ' A' ' 55' ' ' ILE . 73.5 m-85 -100.87 113.92 27.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.677 HD12 ' C ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -106.26 101.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -87.54 132.42 34.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -138.83 143.83 39.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.602 ' HG3' HG11 ' A' ' 39' ' ' VAL . 82.0 mmt-85 -127.31 112.77 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.68 151.24 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.741 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.6 tm? -146.48 128.42 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.677 ' N ' HD13 ' A' ' 65' ' ' LEU . 86.9 m-85 -119.57 139.17 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 26' ' ' VAL . 31.6 mt -120.16 102.24 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -76.87 159.39 30.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 64.63 51.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.498 ' SG ' HG13 ' A' ' 26' ' ' VAL . 77.6 m -73.69 98.09 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.525 ' O ' HG11 ' A' ' 93' ' ' VAL . 12.4 tp-100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 m -136.52 171.97 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -87.42 130.85 34.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -119.61 142.9 47.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 27.2 p90 -150.55 130.6 13.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.4 p -110.8 144.92 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.8 p -114.13 145.14 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -158.8 107.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.44 -121.76 9.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -108.77 30.03 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.693 0.283 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -144.46 166.07 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -165.78 146.98 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.5 p -126.65 178.52 5.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.6 p -153.15 154.68 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 t -144.16 174.52 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -130.55 127.24 38.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.89 HD21 HG11 ' A' ' 26' ' ' VAL . 2.2 tm? -97.97 122.91 41.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.685 ' N ' HD13 ' A' ' 91' ' ' LEU . 38.3 m-85 -112.7 96.17 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.525 HG11 ' O ' ' A' ' 71' ' ' GLN . 2.1 p -93.19 122.18 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.612 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.844 0.354 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 48.4 m-85 -100.22 119.88 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -84.1 -22.12 31.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -152.3 106.91 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -78.42 152.56 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.492 HD21 HG13 ' A' ' 30' ' ' VAL . 6.4 mt -59.87 144.16 49.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.548 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.9 m-20 -46.13 160.44 0.3 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 110.824 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -19.4 36.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -175.01 137.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 28.9 m-85 -109.22 172.01 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -150.57 122.16 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.612 ' HB ' HG12 ' A' ' 26' ' ' VAL . 10.0 p -139.58 169.58 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.597 ' H ' HG22 ' A' ' 20' ' ' VAL . 3.0 p-10 -89.38 139.84 30.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 20.1 ttpt -39.22 159.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 36.41 36.59 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.51 -148.45 11.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -144.5 123.76 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.863 HG11 HD21 ' A' ' 91' ' ' LEU . 24.3 m -95.21 169.03 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.564 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 27.0 ttt85 -130.26 120.53 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.503 ' CE2' HD13 ' A' ' 67' ' ' ILE . 23.2 m-85 -122.33 107.42 12.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.49 146.18 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.492 HG13 HD21 ' A' ' 14' ' ' LEU . 19.6 m -141.09 155.05 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 16.7 tt0 -103.47 158.18 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -131.18 133.13 45.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -19.12 65.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -154.73 141.53 13.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -27.4 26.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -63.18 -27.48 69.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.612 HD13 ' HB1' ' A' ' 9' ' ' ALA . 67.4 mt -67.28 132.77 48.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 169.44 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.36 143.15 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 2.0 mtmp? -145.92 125.04 12.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -95.79 135.28 37.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 67.8 m-85 -126.92 157.66 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 78' ' ' TYR . 20.2 tptp -133.64 135.4 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.3 t30 39.14 25.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . 87.94 35.04 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' LYS . 25.3 mt-30 -148.53 121.68 8.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.311 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -43.0 146.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.3 mt -107.08 139.93 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -103.7 140.0 20.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 113.65 3.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' TYR . 35.2 m -147.39 169.03 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.6 m -43.38 -30.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -71.87 -38.54 70.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' SER . 85.3 m-85 -106.69 122.94 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.0 mm -98.8 102.25 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -91.7 118.5 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -168.61 137.1 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -131.92 130.65 41.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 mp -119.57 151.44 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.837 HD13 ' C ' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -147.09 131.42 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 27' ' ' ARG . 33.0 m-85 -119.68 147.96 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.633 HD11 ' CD1' ' A' ' 65' ' ' LEU . 3.8 mp -126.72 114.1 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -85.69 159.29 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.28 43.38 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.639 ' O ' HG21 ' A' ' 93' ' ' VAL . 88.4 m -66.91 96.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.575 ' O ' HG11 ' A' ' 93' ' ' VAL . 7.4 tp-100 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.754 ' HB3' HG12 ' A' ' 93' ' ' VAL . 8.9 p-10 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.427 ' HB2' ' CE ' ' A' ' 43' ' ' LYS . 1.6 m -136.76 172.0 13.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -92.55 109.48 20.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 43' ' ' LYS . 18.2 m-85 -89.9 148.1 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 42' ' ' TYR . 46.6 p90 -142.66 132.12 23.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.589 HG12 ' SG ' ' A' ' 87' ' ' CYS . 10.6 p -108.75 155.43 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.407 ' N ' HG22 ' A' ' 80' ' ' VAL . 71.8 p -125.02 145.0 50.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.529 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -155.71 107.65 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.58 -109.73 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.35 18.42 14.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -133.41 166.95 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -164.96 146.27 7.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.589 ' SG ' HG12 ' A' ' 80' ' ' VAL . 23.4 p -124.06 171.65 9.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.5 p -148.6 153.4 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.1 t -141.06 160.84 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -112.23 127.96 56.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.863 HD21 HG11 ' A' ' 26' ' ' VAL . 3.2 tm? -96.11 133.41 40.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.705 ' N ' HD13 ' A' ' 91' ' ' LEU . 38.1 m-85 -128.15 96.14 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.754 HG12 ' HB3' ' A' ' 75' ' ' ASP . 6.5 p -100.15 109.87 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.858 0.361 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 73.8 m-85 -93.78 120.27 33.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.89 -34.74 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -133.07 89.44 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.5 pt -68.63 165.06 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.5 HD21 HG13 ' A' ' 30' ' ' VAL . 4.6 mt -71.85 136.19 46.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.567 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.8 m-20 -38.93 156.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.655 0.74 . . . . 0.0 110.843 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -14.21 35.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.07 135.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 27.6 m-85 -112.44 162.29 15.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 56.3 mt-30 -150.62 120.38 7.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.652 HG11 HG13 ' A' ' 26' ' ' VAL . 8.6 p -136.44 167.81 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.569 ' N ' HG22 ' A' ' 20' ' ' VAL . 10.5 m-20 -85.93 143.32 28.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HA ' ' CG2' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -42.27 156.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.82 29.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -100.53 -147.74 21.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -143.16 123.39 13.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.977 HG11 HD21 ' A' ' 91' ' ' LEU . 9.9 m -95.28 155.67 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -121.19 118.75 30.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.474 ' HZ ' HD23 ' A' ' 91' ' ' LEU . 50.6 m-85 -119.11 107.86 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.639 HG22 HG23 ' A' ' 64' ' ' ILE . 96.7 t -111.1 137.34 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG13 HD21 ' A' ' 14' ' ' LEU . 35.9 m -134.97 125.93 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -97.73 142.99 28.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -118.02 131.27 56.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.7 -18.68 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.592 ' OD1' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -140.79 127.68 11.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.13 31.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -59.65 -43.34 93.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' OD1' ' A' ' 34' ' ' ASP . 88.2 mt -66.65 142.72 57.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -95.13 170.32 9.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.8 HG21 ' HG3' ' A' ' 63' ' ' ARG . 23.8 m -125.36 151.67 31.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -148.11 124.22 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.48 ' HB3' HD12 ' A' ' 48' ' ' ILE . 54.7 m95 -97.14 135.15 39.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.433 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 97.0 m-85 -133.6 155.52 49.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -132.62 98.99 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 61.99 43.23 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.27 32.0 56.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -137.2 120.53 16.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.74 0.305 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -57.5 135.91 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 41' ' ' TRP . 47.6 mt -97.65 135.62 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -110.65 147.35 36.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.01 6.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.8 p -148.3 -175.13 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 t -56.72 -20.84 24.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HE2' HG23 ' A' ' 67' ' ' ILE . 41.1 tttt -91.12 -40.01 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -102.54 120.54 40.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mm -110.69 111.54 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -94.65 114.36 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' HD12 ' A' ' 64' ' ' ILE . 91.2 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.757 0.313 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -152.3 105.38 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.8 ' HG3' HG21 ' A' ' 39' ' ' VAL . 30.1 mmt180 -99.76 112.81 25.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.639 HG23 HG22 ' A' ' 29' ' ' VAL . 3.0 mp -103.54 144.7 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.72 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.7 tm? -132.05 128.1 37.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.72 ' N ' HD13 ' A' ' 65' ' ' LEU . 70.7 m-85 -114.79 131.65 56.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.626 HG23 ' HE2' ' A' ' 53' ' ' LYS . 67.6 mt -119.77 105.43 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -85.22 168.07 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 62.24 40.97 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 23' ' ' GLY . 99.7 m -59.43 97.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.526 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.795 0.331 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 2.3 m -136.47 162.82 32.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -79.28 109.13 13.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 76' ' ' SER . 23.9 m-85 -95.23 144.59 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 42' ' ' TYR . 26.1 p90 -146.25 133.45 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.969 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -110.35 138.9 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.3 p -114.17 135.75 53.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -145.82 107.92 4.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.7 -109.75 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -117.57 10.5 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 73.0 mm-40 -129.39 159.38 36.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -161.77 165.8 27.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 2.6 m -151.5 154.18 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.1 p -126.0 155.18 41.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.6 t -134.83 169.49 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.587 ' OE1' ' CD2' ' A' ' 92' ' ' PHE . 5.8 tm-20 -114.65 138.18 51.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.977 HD21 HG11 ' A' ' 26' ' ' VAL . 3.0 tm? -112.8 125.37 54.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.587 ' CD2' ' OE1' ' A' ' 90' ' ' GLU . 51.3 m-85 -122.81 93.46 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.526 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.5 p -89.75 110.5 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -39.58 -61.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.809 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -143.95 116.1 8.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.45 -162.75 10.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 p -93.18 42.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -112.75 95.08 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.2 56.28 2.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.527 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.05 123.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.39 -40.27 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.539 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 35.7 m-85 -92.65 114.88 27.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -71.3 -29.74 65.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -149.89 110.07 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.8 pp -77.3 163.36 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.5 mt -70.43 152.51 43.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.539 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.1 m-20 -53.87 155.77 5.72 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.85 33.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.67 131.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.539 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 23.8 m-85 -108.16 166.48 10.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -150.26 126.66 10.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.477 ' HB ' HG12 ' A' ' 26' ' ' VAL . 5.8 p -144.05 164.14 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' N ' HG22 ' A' ' 20' ' ' VAL . 3.3 p30 -81.59 155.69 25.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' GLY . 21.3 ttpp -53.47 158.3 1.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.96 30.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -101.27 -146.8 19.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -145.93 127.37 15.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.729 HG11 HD21 ' A' ' 91' ' ' LEU . 28.0 m -93.24 165.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 52.3 ttp180 -128.92 113.81 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -116.45 110.11 18.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.939 HG22 HG23 ' A' ' 64' ' ' ILE . 49.9 t -116.76 142.73 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 HD21 ' A' ' 14' ' ' LEU . 21.0 m -144.21 142.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -105.97 149.54 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD21 HG12 ' A' ' 39' ' ' VAL . 5.9 mt -123.71 132.2 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.27 -30.51 50.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.55 143.51 16.12 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -21.55 33.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -53.53 -40.56 65.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.82 159.64 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -112.17 145.91 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.709 HG21 ' HG3' ' A' ' 63' ' ' ARG . 35.8 m -107.66 144.73 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 21.9 mtmt -143.3 126.64 16.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -99.48 138.59 36.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 99.2 m-85 -137.55 145.74 43.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -127.47 104.49 7.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 64.76 43.34 4.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.85 35.77 80.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -141.95 120.76 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.733 0.301 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.517 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 53.9 tt0 -57.3 130.3 45.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -90.04 136.66 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -103.3 143.38 26.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 115.62 4.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' TYR . 4.3 t -152.98 168.58 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' SER . 35.1 p -36.8 -39.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -70.35 -43.98 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 51' ' ' SER . 78.8 m-85 -101.25 114.65 28.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mm -101.32 105.57 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -93.37 114.59 27.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -117.14 123.74 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -111.77 124.11 51.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.11 104.97 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.47 -102.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.5 m -118.08 41.41 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.745 0.307 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -142.04 139.63 32.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.709 ' HG3' HG21 ' A' ' 39' ' ' VAL . 66.2 mmt-85 -126.95 113.78 16.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.939 HG23 HG22 ' A' ' 29' ' ' VAL . 2.1 mp -103.95 149.14 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.762 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.3 tm? -140.49 128.52 22.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.75 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.0 m-85 -119.21 134.09 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.463 HG13 ' CD1' ' A' ' 65' ' ' LEU . 53.2 mt -119.62 108.86 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.184 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -84.58 159.82 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 69.67 41.17 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLY . 83.1 m -67.58 102.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.503 ' O ' HG11 ' A' ' 93' ' ' VAL . 12.7 tp-100 -109.78 154.62 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.629 ' HA ' HG13 ' A' ' 93' ' ' VAL . 11.7 ttm -46.01 -37.58 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -72.73 -33.43 66.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -61.24 -36.38 79.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.682 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.1 t0 -39.99 101.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.41 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 5.1 m -136.51 170.27 16.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -81.33 138.89 35.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CE1' ' O ' ' A' ' 76' ' ' SER . 76.2 m-85 -125.93 140.2 52.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 26.5 p90 -147.75 125.98 12.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.973 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.67 142.73 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.416 HG22 ' CB ' ' A' ' 86' ' ' LYS . 78.4 p -115.95 142.61 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -152.91 111.7 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.14 -115.67 5.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.91 27.4 9.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -144.95 162.87 35.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.416 ' CB ' HG22 ' A' ' 81' ' ' THR . 11.9 pttp -164.38 153.14 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.0 p -131.39 173.72 10.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.0 p -143.99 156.36 44.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -147.75 168.86 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -122.35 131.22 53.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.729 HD21 HG11 ' A' ' 26' ' ' VAL . 3.1 tm? -97.32 131.75 43.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.712 ' N ' HD13 ' A' ' 91' ' ' LEU . 54.1 m-85 -121.26 96.37 5.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 75' ' ' ASP . 5.2 p -101.06 121.5 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -79.26 169.87 17.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.2 m -160.6 120.51 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.74 163.85 36.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 175.37 8.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.731 2.287 . . . . 0.0 112.384 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 m -124.49 -57.74 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.6 m -126.58 165.35 19.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.519 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -94.18 87.59 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -89.01 41.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.82 154.28 6.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 m -157.98 142.86 16.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -145.74 138.74 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.98 72.65 0.98 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.45 95.6 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . -92.55 -42.89 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 42.5 m-85 -99.01 109.28 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -33.41 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -143.37 105.07 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 pt -73.56 160.03 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.608 HD21 HG13 ' A' ' 30' ' ' VAL . 6.7 mt -66.38 140.41 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -41.82 154.06 0.26 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.555 0.693 . . . . 0.0 110.858 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.13 25.35 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.82 139.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 16.4 m-85 -117.52 164.22 15.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -148.51 124.28 10.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.516 ' HB ' HG12 ' A' ' 26' ' ' VAL . 3.5 p -140.18 163.8 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 20' ' ' VAL . 1.7 t70 -82.16 155.16 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' GLY . 4.8 ttpm? -51.94 154.72 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.48 30.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.422 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -100.81 -148.74 22.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -140.71 126.49 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.751 HG11 HD21 ' A' ' 91' ' ' LEU . 16.8 m -92.52 162.19 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -128.77 118.56 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -119.33 112.59 19.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.49 HG22 HG12 ' A' ' 64' ' ' ILE . 44.6 t -112.32 140.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.608 HG13 HD21 ' A' ' 14' ' ' LEU . 28.9 m -145.25 132.08 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -97.87 155.67 16.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 mt -129.19 127.85 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.27 -30.13 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -151.42 142.92 15.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -17.61 37.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -63.57 -29.2 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 mt -78.16 136.85 37.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -84.75 178.87 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.497 HG21 ' HG3' ' A' ' 63' ' ' ARG . 29.2 m -145.42 151.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -150.16 124.71 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -96.77 134.88 39.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.446 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 86.9 m-85 -128.33 150.69 49.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -132.35 96.52 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 72.75 37.91 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.53 33.52 47.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -142.54 134.43 27.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -67.59 134.46 51.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -93.96 140.96 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -110.17 143.65 28.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 121.67 8.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 t -157.59 -179.95 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -49.43 -19.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -90.24 -47.81 7.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -100.86 120.3 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.439 HG22 ' OE2' ' A' ' 57' ' ' GLU . 2.1 mm -108.76 112.74 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -100.51 120.57 40.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' OE2' HG22 ' A' ' 55' ' ' ILE . 31.8 mp0 -120.04 165.28 14.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.21 110.52 10.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -126.46 85.82 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.45 96.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.553 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.7 m 39.49 32.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 3.6 tt0 -134.18 104.12 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.497 ' HG3' HG21 ' A' ' 39' ' ' VAL . 12.7 mmt-85 -91.89 119.03 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.49 HG12 HG22 ' A' ' 29' ' ' VAL . 17.2 mt -109.15 139.2 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.612 HD13 ' C ' ' A' ' 65' ' ' LEU . 3.3 tm? -128.58 128.76 44.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.6 ' N ' HD13 ' A' ' 65' ' ' LEU . 95.4 m-85 -117.48 129.85 56.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.442 HG13 ' CD1' ' A' ' 65' ' ' LEU . 50.0 mt -116.54 112.48 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -85.47 167.42 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 61.65 44.55 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' GLY . 93.2 m -67.18 97.47 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.0 tp-100 -113.52 167.08 10.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.0 mmt -42.33 -26.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.829 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.5 p -76.7 -38.89 53.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 76' ' ' SER . 9.0 t70 -52.32 -38.82 59.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.436 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -49.57 87.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 74' ' ' ASP . 28.3 p -136.46 165.32 26.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -85.72 107.09 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 76' ' ' SER . 15.3 m-85 -97.21 145.11 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 20.5 p90 -149.6 131.03 14.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.535 HG22 ' N ' ' A' ' 81' ' ' THR . 13.0 p -103.15 161.65 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.535 ' N ' HG22 ' A' ' 80' ' ' VAL . 65.0 p -131.77 141.4 49.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.454 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -150.57 112.52 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.17 -103.49 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.43 8.43 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 56.4 mm-40 -119.42 159.91 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -161.44 146.65 13.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 t -134.56 166.11 23.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.8 t -135.56 169.58 17.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.2 t -150.74 173.31 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.92 123.8 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.751 HD21 HG11 ' A' ' 26' ' ' VAL . 2.9 tm? -97.11 132.96 42.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.738 ' N ' HD13 ' A' ' 91' ' ' LEU . 60.0 m-85 -125.37 95.68 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.6 p -93.27 121.72 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.6 mtp85 -80.17 166.79 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.0 p -112.68 103.95 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.5 145.57 48.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.6 21.1 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.316 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 t -131.29 161.93 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.2 m -72.53 -57.02 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 1' ' ' GLY . 53.1 p 37.57 44.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 m -39.62 128.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.36 -121.82 2.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t 62.23 49.95 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 m -106.61 164.21 12.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.5 -63.38 0.62 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.32 38.09 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -59.43 -26.75 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 32.4 m-85 -102.5 106.5 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -67.48 -32.34 73.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -146.24 105.45 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.7 pp -77.28 162.58 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.1 mt -69.02 149.4 48.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 14.3 m-20 -50.02 156.37 1.35 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -10.07 27.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 0.0 112.389 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.67 144.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 26.9 m-85 -122.17 162.36 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -147.3 126.22 12.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.583 HG22 ' H ' ' A' ' 21' ' ' ASP . 6.4 p -141.75 168.82 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.583 ' H ' HG22 ' A' ' 20' ' ' VAL . 2.6 p30 -88.46 140.98 28.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 14.5 ttpp -40.49 155.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.454 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 38.54 37.84 0.58 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.8 -144.71 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -144.43 128.09 17.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.748 HG11 HD21 ' A' ' 91' ' ' LEU . 34.5 m -98.16 168.91 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 27' ' ' ARG . 22.8 ttm105 -124.76 127.55 47.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.618 ' HE2' HG21 ' A' ' 26' ' ' VAL . 62.8 m-85 -137.72 107.41 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 30' ' ' VAL . 6.8 p -134.93 154.92 37.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' N ' HG22 ' A' ' 29' ' ' VAL . 18.6 m -146.57 170.9 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 33.7 mt-10 -119.42 139.91 51.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.512 HD21 ' CG1' ' A' ' 39' ' ' VAL . 4.3 mt -110.92 124.3 51.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.49 -25.75 11.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 2.9 t70 -150.2 140.49 14.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' ' 34' ' ' ASP . 53.9 Cg_endo -69.78 -17.77 37.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -65.64 -34.62 78.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD13 ' HB1' ' A' ' 9' ' ' ALA . 73.9 mt -64.9 159.54 22.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -111.7 155.78 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.632 HG11 ' HG3' ' A' ' 63' ' ' ARG . 34.8 m -118.59 145.77 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -146.01 123.43 11.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.628 ' HB3' HD12 ' A' ' 48' ' ' ILE . 65.2 m95 -97.12 138.5 34.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.445 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.4 m-85 -137.51 150.55 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -132.2 105.76 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 59.72 37.44 22.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.45 30.02 42.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.94 129.89 42.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 33.0 tt0 -65.05 131.61 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.628 HD12 ' HB3' ' A' ' 41' ' ' TRP . 60.9 mt -98.08 135.85 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mtp-105 -117.73 151.37 48.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.694 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 116.92 4.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.629 2.219 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' TYR . 1.1 t -154.54 169.07 24.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 48.8 p -35.55 -35.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.172 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' SER . 45.1 tttm -78.3 -44.83 24.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' SER . 69.5 m-85 -102.28 120.39 40.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mm -107.8 111.6 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -94.91 116.71 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -130.22 113.28 14.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 10.8 p-80 -102.72 124.21 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -134.48 87.63 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 56.1 102.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 60' ' ' GLY . 97.7 m 34.45 36.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 60' ' ' GLY . 26.9 tt0 -141.31 106.57 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.632 ' HG3' HG11 ' A' ' 39' ' ' VAL . 26.0 mmt180 -100.58 112.65 25.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.542 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.5 mt -99.52 154.23 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.729 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.6 tm? -145.67 128.85 16.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.729 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.8 m-85 -122.52 134.88 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.3 mt -117.28 119.29 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -91.46 160.43 15.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 65.42 49.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' A' ' 26' ' ' VAL . 28.7 m -65.38 99.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -113.68 159.65 19.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.5 mmt -42.36 -44.28 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -60.74 -38.09 83.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 76' ' ' SER . 11.9 t0 -53.66 -45.7 70.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.1 t0 -42.88 91.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ASP . 4.2 m -135.5 168.74 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -83.21 108.16 16.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -96.85 141.7 29.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 36.9 p90 -147.97 128.49 14.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 14.6 p -106.78 144.56 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.3 p -117.41 140.51 49.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.422 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -151.68 110.66 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.99 -107.97 2.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.95 10.54 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 27.6 mm-40 -125.93 158.64 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -159.97 151.52 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.44 173.11 12.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 p -142.36 161.58 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -144.65 171.12 14.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -125.72 126.41 44.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.748 HD21 HG11 ' A' ' 26' ' ' VAL . 3.3 tm? -98.15 132.74 43.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.652 ' N ' HD13 ' A' ' 91' ' ' LEU . 41.1 m-85 -123.78 94.27 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.488 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.5 p -93.17 110.05 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.35 176.99 8.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 m -139.64 116.53 10.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.79 -160.21 25.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -14.16 35.76 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.283 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.3 m -43.61 104.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.1 m -55.79 141.89 36.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -88.62 88.83 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -147.79 150.44 34.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.26 75.99 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -122.21 -44.3 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -121.3 136.48 54.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.32 129.98 1.15 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.02 105.55 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -102.58 -28.82 11.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 36.9 m-85 -101.84 106.2 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.7 -19.58 62.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -151.92 106.79 3.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 pt -77.56 173.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.485 HD21 HG13 ' A' ' 30' ' ' VAL . 6.9 mt -81.94 154.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -57.54 153.5 29.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.828 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -13.29 34.52 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.38 136.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 23.5 m-85 -114.75 161.08 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -140.22 131.35 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.661 ' HB ' HG12 ' A' ' 26' ' ' VAL . 3.9 p -146.14 154.25 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.39 146.29 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -43.6 149.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.469 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 41.54 35.83 1.43 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.52 -142.51 10.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.533 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -144.7 124.64 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.661 HG12 ' HB ' ' A' ' 20' ' ' VAL . 4.3 m -94.14 168.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 18' ' ' TYR . 34.5 ttt-85 -128.36 132.66 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' LEU . 48.2 m-85 -142.01 107.49 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 30' ' ' VAL . 4.2 p -132.6 153.25 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.485 HG13 HD21 ' A' ' 14' ' ' LEU . 16.5 m -141.68 161.84 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -111.7 139.41 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.631 HD11 HG11 ' A' ' 39' ' ' VAL . 18.3 mt -115.11 119.62 37.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.41 -24.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -153.19 143.75 15.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.595 0.712 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -25.24 28.67 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.655 2.236 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -57.17 -36.74 71.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.544 HD13 ' HB1' ' A' ' 9' ' ' ALA . 26.4 mt -64.81 144.57 57.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -93.36 163.56 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.631 HG11 HD11 ' A' ' 32' ' ' LEU . 29.1 m -134.11 140.71 45.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 57.5 mttm -141.43 124.15 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.587 ' HB3' HD12 ' A' ' 48' ' ' ILE . 70.2 m95 -95.1 133.48 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 94.1 m-85 -130.42 146.34 51.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -130.41 104.41 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.7 t30 66.91 43.18 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.82 35.52 73.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -150.72 116.98 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -46.54 152.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 41' ' ' TRP . 79.3 mt -106.33 131.72 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.73 143.0 25.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 118.49 5.71 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 t -152.44 -179.02 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.009 0.433 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 t -55.76 -17.75 6.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -89.18 -43.25 11.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CD1' HG12 ' A' ' 67' ' ' ILE . 77.5 m-85 -101.27 114.05 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.74 HG22 ' OE1' ' A' ' 57' ' ' GLU . 5.9 mm -97.66 105.24 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -93.07 119.08 31.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.74 ' OE1' HG22 ' A' ' 55' ' ' ILE . 8.3 mp0 -126.89 160.48 30.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -141.43 119.41 11.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -133.45 88.22 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 51.9 102.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 60' ' ' GLY . 61.0 m 34.9 43.88 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -147.92 115.99 6.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.454 ' HG3' HG11 ' A' ' 39' ' ' VAL . 28.7 mmt180 -105.23 118.86 37.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.634 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 16.8 mt -104.7 152.39 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.9 tm? -146.27 128.86 16.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.837 ' N ' HD13 ' A' ' 65' ' ' LEU . 98.4 m-85 -122.5 138.84 54.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.575 ' CD1' ' CE2' ' A' ' 78' ' ' TYR . 83.8 mt -121.71 115.29 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -88.85 166.2 14.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 62.06 49.33 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.517 ' SG ' HG11 ' A' ' 20' ' ' VAL . 80.8 m -66.42 116.34 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.724 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -122.1 161.11 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.401 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -56.73 -66.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.2 t -53.93 -24.02 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.73 -36.19 70.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.6 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -42.12 113.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.0 t -136.99 171.52 14.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -94.74 107.49 19.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.575 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 24.5 m-85 -88.2 140.18 29.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 33.8 p90 -144.13 128.49 17.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.88 152.61 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.0 p -125.2 135.86 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.563 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -148.42 108.59 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.91 -114.61 4.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -114.71 13.71 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -128.46 158.8 37.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -161.79 154.35 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -138.1 171.92 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.8 p -143.49 158.18 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 t -142.24 168.19 20.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -123.53 129.86 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 91' ' ' LEU . 1.3 tm? -98.14 125.79 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.493 ' N ' HD22 ' A' ' 91' ' ' LEU . 49.3 m-85 -112.58 96.27 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.724 HG11 ' O ' ' A' ' 71' ' ' GLN . 6.8 p -97.85 117.68 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -89.17 162.89 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.4 t -105.88 -45.86 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.88 141.71 10.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -5.62 16.64 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.9 p -146.69 165.31 29.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -159.7 123.58 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -86.18 105.8 16.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -117.19 105.58 12.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.58 -87.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -74.42 112.5 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.39 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -92.78 106.84 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.68 39.35 1.0 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.59 123.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.822 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . -125.81 -37.02 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.455 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 28.3 m-85 -106.1 118.52 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.69 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -78.27 -24.97 46.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -159.99 106.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 pt -74.49 168.19 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' H ' HD12 ' A' ' 14' ' ' LEU . 4.7 mp -74.69 170.53 15.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.524 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.7 m-20 -70.19 160.01 82.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -13.21 34.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.43 141.44 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 11.6 m-85 -116.27 165.42 13.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -146.49 124.51 12.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.577 HG22 ' H ' ' A' ' 21' ' ' ASP . 7.4 p -140.56 168.72 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.577 ' H ' HG22 ' A' ' 20' ' ' VAL . 4.4 p-10 -89.98 144.65 25.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -42.84 152.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.23 25.45 0.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -96.36 -144.49 17.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 ttp85 -143.87 128.96 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.735 HG11 HD21 ' A' ' 91' ' ' LEU . 31.5 m -100.42 166.71 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 21.0 ttp-105 -125.28 129.16 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 65' ' ' LEU . 37.1 m-85 -138.51 107.45 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.434 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 3.8 p -133.29 148.34 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.455 ' CG1' ' CD1' ' A' ' 14' ' ' LEU . 16.3 m -141.19 152.01 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 25.4 tt0 -98.86 157.06 16.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD21 ' CG1' ' A' ' 39' ' ' VAL . 2.8 mt -130.53 122.97 28.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.97 -29.86 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -151.73 148.38 21.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.0 32.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -59.26 -41.94 90.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.7 154.35 11.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -111.04 147.27 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 63' ' ' ARG . 32.7 m -112.61 149.03 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -148.49 123.69 10.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.587 ' HB3' HD12 ' A' ' 48' ' ' ILE . 62.8 m95 -96.22 138.63 33.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.498 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 98.4 m-85 -135.66 149.39 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -132.62 101.1 5.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 71.62 37.09 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.81 34.96 46.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -144.49 135.24 24.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 28.3 tt0 -62.03 137.08 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 41' ' ' TRP . 68.7 mt -96.85 129.63 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -99.69 143.21 26.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 125.88 12.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 t -160.78 171.58 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 p -39.9 -29.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -79.7 -47.26 15.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.506 ' CD1' HG12 ' A' ' 67' ' ' ILE . 95.0 m-85 -101.49 118.22 36.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -105.21 115.96 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -100.58 124.21 45.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -133.06 136.48 45.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -112.53 120.83 42.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 60' ' ' GLY . 5.2 mmmm -128.78 93.22 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 59' ' ' LYS . . . 37.05 90.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 79.4 m 51.78 45.97 27.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.434 ' HG2' ' CG2' ' A' ' 29' ' ' VAL . 32.3 tt0 -150.49 112.82 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.673 ' HG3' HG21 ' A' ' 39' ' ' VAL . 10.8 mmt180 -101.61 107.3 18.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 65' ' ' LEU . 18.9 mt -95.18 154.58 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.4 tm? -148.25 126.47 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.836 ' N ' HD13 ' A' ' 65' ' ' LEU . 77.2 m-85 -119.15 132.26 55.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 54' ' ' TYR . 59.9 mt -118.61 108.5 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -86.07 167.32 15.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 63.3 44.8 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.706 ' O ' HG21 ' A' ' 93' ' ' VAL . 73.5 m -67.79 99.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.504 ' O ' HG11 ' A' ' 93' ' ' VAL . 19.4 tp60 -96.89 149.18 22.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.65 ' HA ' HG13 ' A' ' 93' ' ' VAL . 38.9 tpp -54.79 -26.58 35.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.1 p -84.97 -28.6 25.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -72.03 -34.02 68.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.81 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.7 p-10 -37.57 103.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -136.63 170.39 16.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.9 125.36 34.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -107.94 141.99 38.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 23.1 p90 -141.45 134.81 29.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 7.2 p -112.56 147.97 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.6 p -119.64 140.09 51.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.78 110.29 4.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.5 -110.09 3.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -115.35 14.38 16.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.822 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 7.7 mm-40 -124.55 157.29 35.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -160.96 141.53 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.8 p -129.82 172.51 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.2 p -148.3 154.75 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -139.67 161.98 36.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -113.01 127.13 56.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 75' ' ' ASP . 3.4 tm? -96.79 131.96 42.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.495 ' N ' HD13 ' A' ' 91' ' ' LEU . 51.3 m-85 -128.53 94.14 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.76 HG12 ' HB3' ' A' ' 75' ' ' ASP . 3.8 p -97.9 112.24 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -71.71 141.66 49.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.0 t -137.73 107.72 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -128.33 147.64 17.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 139.21 39.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.0 p -146.71 171.73 14.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 m -163.98 140.66 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -54.81 122.36 10.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t -163.26 152.78 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.1 131.28 0.48 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -48.63 124.17 7.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.38 . . . . 0.0 110.85 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -94.48 87.14 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.75 73.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.61 116.5 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.327 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.783 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -108.02 -36.06 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.615 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 40.6 m-85 -96.86 118.18 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . . . -74.77 -30.85 61.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -149.31 111.66 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 pt -78.55 172.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HG ' HG12 ' A' ' 30' ' ' VAL . 3.8 mp -84.35 167.31 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.535 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 69.0 m-20 -65.01 151.24 93.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.532 0.682 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -9.69 26.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.1 129.72 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 18.6 m-85 -107.5 165.11 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 32.3 mt-30 -147.1 124.12 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.539 HG22 ' H ' ' A' ' 21' ' ' ASP . 3.3 p -144.93 168.71 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.539 ' H ' HG22 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -91.79 147.69 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 3.5 ttmp? -47.67 158.96 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 38.49 33.47 0.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.446 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.56 -144.56 11.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -145.38 125.67 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.859 HG11 HD21 ' A' ' 91' ' ' LEU . 12.9 m -96.22 166.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 33.6 ttm180 -126.09 123.53 38.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 65' ' ' LEU . 43.2 m-85 -131.61 107.48 8.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -129.67 141.89 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG12 ' HG ' ' A' ' 14' ' ' LEU . 28.5 m -134.05 171.46 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 11' ' ' ALA . 27.1 tt0 -126.93 156.06 42.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 mt -129.94 133.03 46.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -27.8 65.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -152.09 145.12 17.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -10.08 27.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 5.5 pttt -68.81 -29.12 67.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.783 HD13 ' HB1' ' A' ' 9' ' ' ALA . 47.3 mt -78.71 143.61 36.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 178.4 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG11 ' HG3' ' A' ' 63' ' ' ARG . 26.2 m -143.65 140.91 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -141.39 123.52 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -96.69 133.1 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.53 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.1 m-85 -129.74 148.74 51.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HB2' HD11 ' A' ' 48' ' ' ILE . 63.1 tttt -128.53 99.04 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 72.55 39.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.87 33.76 59.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -141.89 137.22 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.42 129.95 41.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.462 HD11 ' HB2' ' A' ' 43' ' ' LYS . 69.5 mt -90.22 139.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -105.88 142.39 24.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 120.43 7.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.274 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.2 p -158.96 170.9 21.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -38.96 -38.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -68.38 -48.87 63.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CD1' HG12 ' A' ' 67' ' ' ILE . 97.2 m-85 -100.51 116.22 31.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.19 105.05 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -92.15 114.09 26.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 64' ' ' ILE . 51.2 mm-40 -121.58 113.88 20.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 63' ' ' ARG . 2.3 t60 -105.62 124.71 50.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -137.3 105.28 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.4 -104.92 0.41 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.3 m -115.1 32.36 6.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -133.39 138.69 46.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 22.4 mmt-85 -126.77 120.0 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.9 mp -108.42 156.07 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.751 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.5 tm? -149.19 129.33 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.751 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.3 m-85 -124.14 129.43 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.5 HG12 ' CD1' ' A' ' 54' ' ' TYR . 62.7 mt -112.55 113.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -87.39 154.41 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 72.08 43.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.45 ' SG ' HG13 ' A' ' 26' ' ' VAL . 73.6 m -68.42 103.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 74' ' ' ASP . 4.0 tt0 -120.88 165.36 15.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.2 tpp -46.66 -33.7 4.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -73.41 -29.28 62.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 76' ' ' SER . 4.6 m-20 -71.51 -37.4 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.52 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -44.08 91.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ASP . 26.5 m -131.48 162.14 30.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -79.73 106.78 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -91.31 146.06 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.0 p90 -153.89 132.65 12.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.97 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.0 p -110.32 149.21 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.5 p -121.32 136.89 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.615 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -146.03 108.17 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.046 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.23 -106.4 1.83 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -118.94 8.58 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -123.28 158.88 29.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -165.66 146.65 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.9 t -129.17 172.55 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 p -142.86 150.82 40.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.2 t -135.99 156.29 48.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -110.72 127.93 55.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.859 HD21 HG11 ' A' ' 26' ' ' VAL . 2.5 tm? -97.02 124.73 41.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.671 ' N ' HD13 ' A' ' 91' ' ' LEU . 51.8 m-85 -116.92 94.24 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.5 p -89.09 116.24 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -66.98 169.32 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.8 p -94.49 42.93 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.49 144.59 25.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.434 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 98' ' ' SER . 54.0 Cg_endo -69.72 -22.4 32.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 97' ' ' PRO . 16.1 t -34.54 118.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.1 t -117.8 164.52 14.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 t -129.73 102.43 6.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 p -101.07 -55.79 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.78 -129.64 1.88 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 t -113.45 128.36 56.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -133.63 140.85 47.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.34 -29.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.94 106.9 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -98.95 -30.13 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 44.4 m-85 -95.86 111.4 23.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.6 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.98 107.71 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.3 pt -79.6 168.74 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' H ' HD12 ' A' ' 14' ' ' LEU . 4.3 mp -76.66 171.74 14.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 13.2 m-20 -71.63 157.72 89.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.716 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.84 27.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.72 144.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.517 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 8.7 m-85 -123.15 161.24 24.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -149.28 129.18 13.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.654 HG11 HG13 ' A' ' 26' ' ' VAL . 10.0 p -145.57 169.58 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.61 ' H ' HG22 ' A' ' 20' ' ' VAL . 10.1 t70 -85.15 153.34 22.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 13.1 ttpp -51.65 153.8 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 39.43 26.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -94.43 -147.17 21.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -144.52 122.16 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.727 HG11 HD21 ' A' ' 91' ' ' LEU . 12.9 m -95.04 168.85 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 54.8 ttp180 -128.7 124.99 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LEU . 38.1 m-85 -131.45 107.93 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 p -125.84 143.5 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.72 165.9 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -124.49 151.6 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD11 ' CG1' ' A' ' 39' ' ' VAL . 4.3 mt -131.43 123.6 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.76 -29.42 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -147.91 141.74 15.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -28.85 24.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -48.44 -35.05 12.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.51 HD13 ' HB1' ' A' ' 9' ' ' ALA . 22.7 mt -68.13 155.14 40.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -103.15 154.35 19.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.668 ' CG1' HD11 ' A' ' 32' ' ' LEU . 27.7 m -120.57 140.39 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 86.5 mttt -142.24 124.14 15.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.462 ' CH2' ' HB3' ' A' ' 28' ' ' PHE . 70.2 m95 -96.7 136.95 36.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 60.2 m-85 -131.6 149.51 52.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HB2' HD11 ' A' ' 48' ' ' ILE . 32.5 tttt -131.72 104.95 7.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.1 t30 63.18 45.83 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.39 34.93 86.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -143.41 123.86 13.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.97 130.48 47.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' A' ' 43' ' ' LYS . 80.7 mt -87.71 131.87 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -97.63 142.17 24.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 123.31 9.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -160.14 173.14 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.2 p -45.49 -31.67 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -73.95 -45.97 47.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -101.67 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.12 105.3 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -94.07 115.56 27.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 64' ' ' ILE . 30.2 mt-10 -123.93 117.14 24.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -103.34 124.35 48.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -131.29 86.16 2.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.13 -105.37 0.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.3 p -105.7 39.62 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.741 0.305 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -149.33 133.58 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.651 ' HG3' HG21 ' A' ' 39' ' ' VAL . 18.7 mmt180 -125.11 114.68 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.7 mp -98.76 153.83 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.768 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.4 tm? -146.72 127.61 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.689 ' N ' HD13 ' A' ' 65' ' ' LEU . 89.1 m-85 -119.62 134.31 55.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.43 HG13 ' CD1' ' A' ' 65' ' ' LEU . 52.8 mt -118.41 109.38 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -81.95 158.9 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 62.13 52.23 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.723 ' O ' HG21 ' A' ' 93' ' ' VAL . 73.0 m -71.23 102.78 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -121.82 166.1 14.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.3 mmt -48.82 -34.68 12.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 p -69.38 -27.21 65.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -84.7 -21.86 29.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.687 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -61.7 91.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 34.5 m -136.71 172.96 12.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.19 129.37 34.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 76' ' ' SER . 51.4 m-85 -111.99 152.35 28.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 41.8 p90 -157.42 129.11 6.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.407 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 10.1 p -110.6 144.28 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.0 p -115.52 144.22 44.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.659 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -153.42 108.95 3.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.92 -112.07 4.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.09 17.46 16.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -137.35 159.51 41.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -161.84 153.27 18.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.38 166.02 22.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.2 p -137.76 147.56 44.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -133.17 173.09 11.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -125.32 141.02 52.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.727 HD21 HG11 ' A' ' 26' ' ' VAL . 3.2 tm? -113.3 131.83 55.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.473 ' N ' HD13 ' A' ' 91' ' ' LEU . 50.3 m-85 -125.59 92.67 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.723 HG21 ' O ' ' A' ' 70' ' ' CYS . 2.4 p -95.19 118.46 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -75.55 168.85 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.3 t -157.33 117.08 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.4 -155.89 14.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 100.47 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -95.16 -53.38 3.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 m -101.66 104.45 15.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.449 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -67.85 164.21 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -80.48 -46.14 16.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.43 46.01 1.23 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -49.26 -49.5 43.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -126.99 148.93 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.15 -72.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.434 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.04 39.03 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -55.22 -24.09 25.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 32.2 m-85 -108.37 110.63 22.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.788 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -67.98 -30.68 70.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -144.3 107.55 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 pt -79.48 159.95 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.52 HD21 HG13 ' A' ' 30' ' ' VAL . 5.6 mt -72.72 139.2 47.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.529 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.1 m-20 -44.22 157.73 0.29 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 110.812 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.73 36.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.05 147.68 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.529 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 19.3 m-85 -124.2 165.36 17.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -148.01 126.31 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.541 ' HB ' HG12 ' A' ' 26' ' ' VAL . 8.3 p -141.47 161.88 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' N ' HG22 ' A' ' 20' ' ' VAL . 1.7 p30 -83.27 148.04 27.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 30.7 tttm -42.17 154.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 35.39 35.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -102.52 -145.25 15.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -144.92 122.98 12.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.979 HG11 HD21 ' A' ' 91' ' ' LEU . 35.8 m -92.51 167.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 60.3 ttp180 -126.13 129.52 49.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LEU . 60.7 m-85 -140.2 107.5 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 5.8 p -133.86 147.66 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.52 HG13 HD21 ' A' ' 14' ' ' LEU . 30.0 m -143.03 148.85 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.788 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 1.1 mp0 -100.93 155.93 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -126.87 126.23 42.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.07 -26.85 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -149.66 143.72 17.06 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.633 0.73 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.94 35.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.615 2.21 . . . . 0.0 112.359 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.87 -32.84 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.621 HD13 ' HB1' ' A' ' 9' ' ' ALA . 65.8 mt -69.03 134.21 49.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -85.47 167.93 15.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.553 HG21 ' HG3' ' A' ' 63' ' ' ARG . 17.4 m -136.02 139.93 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -143.69 123.86 13.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.596 ' HB3' HD12 ' A' ' 48' ' ' ILE . 54.7 m95 -93.41 141.79 28.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.546 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 98.0 m-85 -139.93 149.83 43.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -125.36 102.8 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 61.2 32.12 19.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.16 25.86 30.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -126.59 129.54 48.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -66.48 113.54 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 41' ' ' TRP . 61.9 mt -74.87 149.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.29 147.33 49.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.704 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 115.34 4.04 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.3 m -149.23 167.44 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 p -44.21 -31.97 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -74.65 -38.92 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -105.87 114.39 28.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mm -93.41 103.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -92.95 115.01 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -122.77 145.48 48.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.5 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 1.1 t-160 -140.2 111.49 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.72 87.62 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.05 -108.1 2.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.4 m -113.74 41.84 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HG2' ' CG2' ' A' ' 29' ' ' VAL . 6.8 tt0 -145.38 130.8 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HG3' HG21 ' A' ' 39' ' ' VAL . 79.4 mmt-85 -113.04 114.04 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.4 mt -99.21 155.22 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.755 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.4 tm? -151.2 129.14 11.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.755 ' N ' HD13 ' A' ' 65' ' ' LEU . 96.7 m-85 -121.97 137.71 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.527 ' HB ' HG22 ' A' ' 26' ' ' VAL . 46.0 mt -118.54 108.33 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -84.42 163.4 19.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 62.79 46.7 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.714 ' SG ' HG13 ' A' ' 26' ' ' VAL . 73.3 m -65.02 100.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.17 159.99 15.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -44.54 53.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.3 p -66.93 -37.27 84.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' SER . 1.1 m-20 -52.51 -43.56 65.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.427 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -36.89 95.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 74' ' ' ASP . 3.0 m -132.17 161.21 33.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.65 108.6 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -93.0 136.65 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 42' ' ' TYR . 13.9 p90 -144.52 134.42 23.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 p -113.68 150.25 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 p -121.43 137.54 54.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.581 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -148.54 111.88 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.461 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . 70.58 -113.06 4.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -115.95 16.81 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.835 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 20.2 mm-40 -131.57 159.74 37.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -165.86 148.98 7.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.68 174.53 10.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -143.12 168.01 20.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -146.93 165.74 28.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -116.34 126.54 53.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.979 HD21 HG11 ' A' ' 26' ' ' VAL . 1.9 tm? -96.76 126.3 41.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.797 ' N ' HD13 ' A' ' 91' ' ' LEU . 56.6 m-85 -117.83 99.36 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.826 HG22 ' H ' ' A' ' 95' ' ' SER . 2.3 p -96.2 116.65 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 96' ' ' GLY . 32.3 mtp85 -53.28 -15.58 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.826 ' H ' HG22 ' A' ' 93' ' ' VAL . 29.1 t 36.66 33.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 22' ' ' LYS . . . -132.82 142.3 13.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.95 16.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.367 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -151.14 147.03 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.3 m -81.73 106.92 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 t -133.29 125.14 28.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -123.12 97.36 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.22 131.1 1.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -133.87 -42.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.357 . . . . 0.0 110.834 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -113.17 -52.61 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.12 104.31 1.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.67 112.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.732 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -112.87 -23.89 9.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -99.14 119.18 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.07 -33.14 57.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.28 109.75 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -78.27 171.82 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD11 HG11 ' A' ' 30' ' ' VAL . 3.8 mp -80.61 170.81 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.07 159.75 78.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.729 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.7 26.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.746 2.298 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.95 149.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -124.48 163.96 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -150.21 127.52 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG22 ' N ' ' A' ' 21' ' ' ASP . 8.0 p -138.73 163.22 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.514 ' N ' HG22 ' A' ' 20' ' ' VAL . 4.5 p-10 -81.94 141.23 33.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 55.7 tttt -37.25 148.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 39.76 30.67 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.68 -143.69 15.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -144.77 125.17 13.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.054 HG11 HD21 ' A' ' 91' ' ' LEU . 35.0 m -92.94 168.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 72.9 ttp85 -129.05 130.92 47.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -139.22 109.89 6.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -128.06 132.27 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG11 HD11 ' A' ' 14' ' ' LEU . 33.8 m -131.04 152.11 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -108.74 159.07 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.73 HD21 ' CG1' ' A' ' 39' ' ' VAL . 3.6 mt -131.07 124.73 31.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.61 -30.16 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 3.2 t70 -145.2 140.93 16.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.76 -17.91 37.31 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -63.44 -40.07 96.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.732 HD13 ' HB1' ' A' ' 9' ' ' ALA . 83.8 mt -63.73 155.66 29.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -111.11 153.28 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.73 ' CG1' HD21 ' A' ' 32' ' ' LEU . 35.5 m -115.9 146.45 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -141.2 123.56 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -96.75 134.48 39.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 95.9 m-85 -132.08 151.21 51.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -132.69 108.45 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 61.62 42.17 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.67 36.07 67.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -141.53 135.64 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.18 128.8 37.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.2 mt -88.21 134.46 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -103.91 145.2 30.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.16 4.44 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 54' ' ' TYR . 2.5 t -152.85 162.21 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' SER . 53.2 p -35.4 -32.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' SER . 76.5 tttt -72.73 -47.17 49.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.503 ' CD1' HG12 ' A' ' 67' ' ' ILE . 99.3 m-85 -101.99 116.58 32.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mm -98.13 102.64 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.152 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -91.49 116.3 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -124.14 118.64 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.435 ' CD2' ' HD3' ' A' ' 63' ' ' ARG . 5.4 t-80 -111.25 122.3 47.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -130.92 94.14 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.58 -96.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.9 m -121.77 38.28 4.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.325 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -143.48 124.93 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.723 ' HG3' HG21 ' A' ' 39' ' ' VAL . 4.6 mmm180 -116.63 119.19 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 64' ' ' ILE . 3.9 mp -106.85 157.6 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.9 tm? -148.53 128.67 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.682 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.7 m-85 -122.37 131.84 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.503 HG12 ' CD1' ' A' ' 54' ' ' TYR . 65.9 mt -113.53 115.97 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -87.32 162.45 17.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m120 57.3 54.22 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.653 ' O ' HG21 ' A' ' 93' ' ' VAL . 59.7 m -70.24 99.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.588 ' O ' HG11 ' A' ' 93' ' ' VAL . 4.7 tp-100 -110.4 168.88 9.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.4 tpt -42.11 -58.96 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.3 p -48.71 -29.73 4.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 76' ' ' SER . 12.9 t70 -60.43 -43.6 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.2 OUTLIER -47.94 89.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 74' ' ' ASP . 84.7 p -135.94 172.11 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -92.2 106.81 18.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.68 145.77 24.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 38.3 p90 -147.91 134.99 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.24 139.57 37.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.588 HG22 ' HB2' ' A' ' 86' ' ' LYS . 25.8 p -118.08 141.31 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.5 111.46 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.443 ' CA ' HD22 ' A' ' 37' ' ' LEU . . . 76.41 -108.21 2.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.72 8.89 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -127.75 156.77 41.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.588 ' HB2' HG22 ' A' ' 81' ' ' THR . 16.4 pttm -155.86 151.83 27.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.0 t -129.81 172.94 11.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.4 p -145.77 153.06 40.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -142.88 162.45 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' OE1' ' CE2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -110.84 141.61 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.054 HD21 HG11 ' A' ' 26' ' ' VAL . 1.9 tm? -115.6 122.98 47.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.722 ' N ' HD13 ' A' ' 91' ' ' LEU . 49.9 m-85 -113.85 96.9 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.653 HG21 ' O ' ' A' ' 70' ' ' CYS . 5.4 p -98.23 114.01 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -58.02 157.75 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.5 p -113.07 -51.03 2.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -40.2 145.89 0.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 123.68 10.33 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.3 m -135.44 167.92 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.4 m -57.37 126.29 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.904 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -68.4 138.46 55.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 m -155.84 148.46 23.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.27 160.96 20.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -47.59 130.27 14.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -84.01 42.94 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.94 -87.3 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.73 47.61 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -64.71 -32.26 73.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 52.0 m-85 -91.14 115.59 28.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -77.14 -24.7 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -147.74 107.95 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 pt -80.69 162.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.596 HD21 HG13 ' A' ' 30' ' ' VAL . 5.8 mt -71.4 153.22 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.574 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -53.9 155.13 6.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.613 0.72 . . . . 0.0 110.878 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -11.45 30.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.9 131.33 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 36.7 m-85 -109.62 163.38 13.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 49.8 mt-30 -148.53 124.01 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.477 HG11 HG13 ' A' ' 26' ' ' VAL . 9.8 p -141.59 160.55 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' N ' HG22 ' A' ' 20' ' ' VAL . 6.1 m-20 -76.53 151.19 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 12.5 ttmm -50.9 155.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 39.58 34.66 0.46 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.47 -146.66 14.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -145.08 126.28 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.857 HG11 HD21 ' A' ' 91' ' ' LEU . 20.9 m -94.59 162.47 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.482 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 55.6 ttp180 -129.9 108.04 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -107.16 115.93 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.425 HG13 ' HG2' ' A' ' 62' ' ' GLN . 96.8 t -116.75 140.12 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 14' ' ' LEU . 6.6 m -142.41 144.16 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 11.7 tt0 -108.06 153.38 23.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 HG11 ' A' ' 39' ' ' VAL . 8.6 mt -128.32 118.7 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -38.56 -33.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -151.61 144.08 16.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -13.57 34.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.3 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -61.13 -39.62 90.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.784 HD13 ' HB1' ' A' ' 9' ' ' ALA . 52.2 mt -69.79 163.96 24.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -109.46 173.43 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.729 HG21 ' HG3' ' A' ' 63' ' ' ARG . 32.6 m -137.7 152.35 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -153.08 123.78 7.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.401 ' HB3' HD12 ' A' ' 48' ' ' ILE . 42.1 m95 -95.02 132.54 39.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.55 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 89.9 m-85 -127.01 147.37 50.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -133.69 100.35 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 73.15 39.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.5 37.09 68.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -145.98 139.55 26.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.708 0.29 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.22 131.32 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.539 HG23 ' CE2' ' A' ' 54' ' ' TYR . 71.2 mt -88.23 130.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -98.32 143.94 27.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 121.13 7.83 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -159.19 173.55 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.0 m -42.46 -26.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -82.49 -47.24 12.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.539 ' CE2' HG23 ' A' ' 48' ' ' ILE . 78.2 m-85 -101.24 117.62 35.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mm -108.34 113.82 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -96.01 125.06 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -138.49 124.46 20.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -104.59 117.33 33.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -126.28 87.17 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 52.2 100.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.52 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 60' ' ' GLY . 1.1 p 34.46 46.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' HG2' HG13 ' A' ' 29' ' ' VAL . 10.5 tt0 -152.23 110.29 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.729 ' HG3' HG21 ' A' ' 39' ' ' VAL . 21.0 mmt180 -93.88 120.14 33.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.555 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 8.4 mt -108.38 135.76 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.1 tm? -131.18 127.37 37.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.781 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.7 m-85 -118.46 131.52 56.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 65' ' ' LEU . 87.1 mt -114.82 104.17 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -79.06 156.01 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.1 t30 67.52 50.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' GLY . 84.1 m -72.93 104.84 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.73 157.97 19.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.6 mmt -46.05 -32.48 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.2 p -72.15 -41.08 67.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' SER . 24.3 m-20 -55.21 -43.18 74.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.527 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -36.95 93.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' ASP . 9.1 t -133.41 165.18 25.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -80.29 107.6 13.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -93.69 140.86 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.55 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 32.4 p90 -146.04 131.56 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 81' ' ' THR . 7.7 p -110.79 152.68 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.573 HG22 ' HB2' ' A' ' 86' ' ' LYS . 51.7 p -128.97 142.78 50.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -155.49 117.21 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.48 -113.09 4.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -118.48 19.05 13.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -132.12 166.62 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.573 ' HB2' HG22 ' A' ' 81' ' ' THR . 14.8 ptmt -164.5 153.41 13.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.7 t -139.58 169.47 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.5 p -143.49 160.05 41.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 t -148.36 167.0 26.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -117.46 133.43 55.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.857 HD21 HG11 ' A' ' 26' ' ' VAL . 2.0 tm? -102.81 126.82 50.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.789 ' N ' HD13 ' A' ' 91' ' ' LEU . 64.6 m-85 -118.92 98.57 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.3 p -93.53 114.46 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -71.28 -177.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 p -111.97 120.36 41.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -133.19 163.96 24.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -174.12 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.2 m -155.35 148.88 25.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -130.85 125.77 34.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -136.75 143.35 43.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -43.5 -54.94 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.57 -58.56 1.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 t -102.14 44.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p -121.14 142.35 49.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.77 -122.11 2.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.31 113.45 2.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.589 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -98.94 -28.64 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 37.6 m-85 -104.12 108.77 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.66 -24.03 62.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -148.63 108.46 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.1 pt -82.34 167.5 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 30' ' ' VAL . 6.6 mt -78.76 152.26 31.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.7 m-20 -55.19 151.31 18.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.89 128.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 22.6 m-85 -107.94 165.58 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -149.29 123.63 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG22 ' H ' ' A' ' 21' ' ' ASP . 4.8 p -140.71 165.77 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.486 ' H ' HG22 ' A' ' 20' ' ' VAL . 4.1 p-10 -86.15 146.61 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.7 tttt -44.04 157.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 36.6 31.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -102.91 -148.36 20.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 15.7 ttp-105 -141.43 128.17 20.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.851 HG11 HD21 ' A' ' 91' ' ' LEU . 31.5 m -96.15 168.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 20.7 ttp-105 -126.53 126.11 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' LEU . 37.7 m-85 -136.22 107.99 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 p -125.95 136.15 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.76 HG11 HG11 ' A' ' 80' ' ' VAL . 13.3 m -127.08 137.13 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -102.63 138.84 39.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.558 HD21 HG12 ' A' ' 39' ' ' VAL . 4.8 mt -114.99 135.27 54.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.06 -23.84 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -156.41 142.27 12.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -16.13 37.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -57.0 -34.56 68.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD13 ' HB1' ' A' ' 9' ' ' ALA . 33.1 mt -78.26 153.42 31.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -105.6 147.0 28.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.758 HG21 ' HG3' ' A' ' 63' ' ' ARG . 27.9 m -106.89 148.2 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 18.7 mtmt -147.11 123.99 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.428 ' HB3' HD12 ' A' ' 48' ' ' ILE . 74.2 m95 -96.35 143.97 26.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.554 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.7 m-85 -142.38 146.29 34.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -130.05 102.39 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.8 t30 69.46 41.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.74 35.05 73.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -142.31 136.3 29.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -66.81 132.05 47.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 41' ' ' TRP . 95.8 mt -87.42 140.29 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -110.33 142.05 25.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 117.99 5.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -149.42 178.66 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 t -55.28 -17.27 4.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -90.25 -34.42 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -105.76 122.01 45.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mm -106.04 106.49 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -98.86 121.23 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -125.19 163.28 22.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -135.63 124.67 24.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' HB3' ' NE2' ' A' ' 62' ' ' GLN . 20.6 ttmm -131.21 86.26 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 37.08 91.78 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.7 m 57.7 42.91 22.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 59' ' ' LYS . 5.4 tt0 -150.19 129.96 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.758 ' HG3' HG21 ' A' ' 39' ' ' VAL . 12.0 mmm180 -120.25 111.08 17.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.8 mp -101.34 155.53 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.6 tm? -146.64 128.34 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 98.4 m-85 -124.05 119.35 29.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.7 mt -101.97 118.62 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -92.49 167.0 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 61.24 41.06 13.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 93.3 m -65.04 100.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.09 152.29 21.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.491 ' HA ' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -45.39 -38.37 5.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.6 p -69.23 -41.63 76.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -51.02 -42.0 60.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.736 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -34.46 96.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' ASP . 8.7 t -134.36 172.82 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.38 135.93 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -123.33 154.48 38.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 32.9 p90 -159.28 135.21 8.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.76 HG11 HG11 ' A' ' 30' ' ' VAL . 11.0 p -114.52 140.48 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 86' ' ' LYS . 43.8 p -115.6 144.66 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.614 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -156.19 106.89 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.57 -118.66 5.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.27 19.22 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -134.93 162.26 32.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' HB2' HG22 ' A' ' 81' ' ' THR . 32.7 pttt -165.78 151.25 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.76 166.91 20.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 p -136.94 146.97 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.4 t -139.97 157.51 45.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.41 137.85 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.851 HD21 HG11 ' A' ' 26' ' ' VAL . 2.9 tm? -105.01 126.9 52.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.655 ' N ' HD13 ' A' ' 91' ' ' LEU . 59.6 m-85 -117.92 96.23 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.736 HG12 ' HB2' ' A' ' 75' ' ' ASP . 2.7 p -98.95 113.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 11.9 mtp-105 -65.31 153.44 41.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 t -111.76 104.79 13.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.38 -105.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.437 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.51 0.64 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -95.68 -50.73 4.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 t -63.84 118.49 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 t -168.35 155.9 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -119.95 169.81 9.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.65 87.87 0.55 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -119.43 154.78 33.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -110.09 -54.58 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.07 46.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.27 106.25 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.26 -31.91 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 31.3 m-85 -103.25 102.48 12.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.04 68.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' N ' ' HB3' ' A' ' 31' ' ' GLU . 39.1 tptt -148.23 111.19 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 pt -84.84 172.04 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.7 178.64 8.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.1 m-20 -80.36 158.41 71.68 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.63 0.729 . . . . 0.0 110.88 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -14.0 35.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.52 133.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 18.4 m-85 -107.96 166.52 10.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -148.07 125.24 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.473 ' HB ' HG12 ' A' ' 26' ' ' VAL . 7.0 p -142.07 164.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' N ' HG22 ' A' ' 20' ' ' VAL . 61.5 m-20 -87.87 145.82 25.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 12.6 ttmm -42.02 154.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.42 36.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.99 -143.51 12.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -145.11 122.85 11.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.667 HG11 HD21 ' A' ' 91' ' ' LEU . 24.0 m -94.56 163.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -122.65 125.52 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -135.43 107.39 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -127.36 152.47 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 80' ' ' VAL . 16.3 m -142.9 165.91 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HB3' ' N ' ' A' ' 12' ' ' LYS . 26.8 tt0 -125.32 153.49 43.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mt -131.28 128.82 40.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.47 -25.35 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -154.88 142.2 13.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.718 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.05 37.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.317 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -55.46 -40.74 71.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.29 157.81 37.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -105.28 168.13 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.0 m -128.18 148.81 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -150.06 123.43 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.5 ' HB3' HD12 ' A' ' 48' ' ' ILE . 65.8 m95 -95.55 132.61 40.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.576 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 96.3 m-85 -128.56 141.82 51.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.001 0.429 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -124.77 102.03 7.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 70.03 37.91 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.75 35.21 55.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -144.69 132.51 21.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -62.03 134.81 57.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 41' ' ' TRP . 77.3 mt -91.5 137.92 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -100.09 136.84 20.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 122.53 9.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 t -159.96 174.85 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -42.83 -35.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -70.51 -46.46 63.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -101.13 113.87 27.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mm -98.07 106.99 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -96.75 119.12 34.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' O ' HD12 ' A' ' 64' ' ' ILE . 65.7 mm-40 -133.35 129.36 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -111.37 127.59 55.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -147.65 110.58 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 44.02 88.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.535 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 60' ' ' GLY . 24.5 p 34.28 46.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -148.31 111.75 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -103.73 125.01 49.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 57' ' ' GLU . 3.4 mp -108.95 147.14 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.8 tm? -137.09 126.92 25.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.447 ' N ' HD13 ' A' ' 65' ' ' LEU . 73.3 m-85 -120.38 127.71 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.5 mt -114.08 113.62 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -88.64 157.92 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 67.55 48.77 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.507 ' SG ' HG13 ' A' ' 26' ' ' VAL . 81.7 m -70.17 97.63 1.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' ASP . 1.3 tp-100 -101.0 155.01 18.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.485 ' HA ' HG13 ' A' ' 93' ' ' VAL . 13.4 mtp -42.54 -40.97 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.7 p -65.49 -36.62 84.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 76' ' ' SER . 6.2 t0 -50.4 -45.93 55.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -34.84 93.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 74' ' ' ASP . 1.1 t -134.72 168.53 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -84.75 125.74 32.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -113.25 143.82 43.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.5 p90 -151.27 127.15 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 30' ' ' VAL . 11.3 p -106.24 143.54 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.7 p -116.45 135.78 53.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -145.12 106.71 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.36 -113.18 4.16 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.26 18.52 16.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -137.8 157.38 46.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -163.53 157.41 19.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.0 177.81 7.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -144.32 164.83 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -150.78 168.38 24.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -121.9 130.69 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.667 HD21 HG11 ' A' ' 26' ' ' VAL . 3.4 tm? -100.05 130.77 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.55 ' N ' HD13 ' A' ' 91' ' ' LEU . 47.7 m-85 -122.97 93.36 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.485 HG13 ' HA ' ' A' ' 72' ' ' MET . 1.6 p -92.58 115.18 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -82.69 174.2 11.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -97.57 113.93 25.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.71 -173.56 13.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.54 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.01 22.76 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.747 2.298 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.0 p -137.44 134.78 36.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.7 t -143.77 170.61 15.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -47.77 119.6 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -75.09 85.27 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.67 175.32 54.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -133.8 99.27 4.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.37 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -87.62 148.3 24.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.2 99.53 0.53 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.445 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.44 123.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.615 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -123.09 -23.86 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 17.1 m-85 -102.15 105.82 16.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.714 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -63.06 -33.05 74.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -146.53 127.22 14.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 pt -93.99 152.6 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.644 ' H ' HD12 ' A' ' 14' ' ' LEU . 2.7 mp -64.47 156.26 30.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 2.4 m-20 -55.27 152.36 15.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.836 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.94 24.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.78 130.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 19.5 m-85 -111.36 167.0 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -148.55 123.62 10.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.524 ' HB ' HG12 ' A' ' 26' ' ' VAL . 5.1 p -140.14 162.9 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 20' ' ' VAL . 75.5 m-20 -82.71 150.47 26.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 24' ' ' GLY . 30.5 tttp -47.59 156.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.11 32.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -101.12 -144.53 15.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -144.73 124.91 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 HD21 ' A' ' 91' ' ' LEU . 15.8 m -94.32 168.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 41.7 ttp180 -131.31 128.54 39.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -135.65 109.45 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -123.88 141.63 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.437 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 34.3 m -143.31 150.34 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.714 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 9.7 mp0 -100.8 152.13 20.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' A' ' 39' ' ' VAL . 7.5 mt -124.25 115.51 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.94 -28.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 68.4 m-20 -153.53 145.89 17.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.0 29.3 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -59.16 -40.24 84.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.615 HD13 ' HB1' ' A' ' 9' ' ' ALA . 94.4 mt -60.68 145.75 48.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -95.51 161.26 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.565 ' CG1' HD21 ' A' ' 32' ' ' LEU . 20.4 m -129.81 140.04 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 17.9 mmtp -140.75 127.97 20.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.419 ' HB3' HD12 ' A' ' 48' ' ' ILE . 52.2 m95 -100.37 133.26 45.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 47' ' ' GLU . 90.4 m-85 -129.66 152.47 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 43.4 tttt -133.16 100.78 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.3 t30 66.04 45.1 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.96 34.63 71.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -140.25 120.29 13.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 42' ' ' TYR . 20.6 tt0 -56.93 134.53 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 41' ' ' TRP . 57.4 mt -96.1 134.92 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -106.67 144.21 28.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 122.19 8.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -157.43 -177.51 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 t -51.89 -21.64 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 54' ' ' TYR . 19.6 ttpt -87.3 -46.47 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.52 ' CD1' HG12 ' A' ' 67' ' ' ILE . 94.4 m-85 -100.63 118.66 37.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mm -101.53 106.1 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -93.23 115.73 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -124.65 154.46 40.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 8.5 p-80 -137.37 117.31 13.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -129.65 85.87 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.28 99.13 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.9 m 40.52 40.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.496 ' NE2' ' OE2' ' A' ' 31' ' ' GLU . 39.6 tt0 -147.12 108.11 4.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.499 ' HG3' HG21 ' A' ' 39' ' ' VAL . 23.9 mmt180 -102.97 114.62 29.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.48 HG21 ' CE2' ' A' ' 66' ' ' PHE . 3.7 mp -101.22 153.83 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.832 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.3 tm? -144.17 126.57 15.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.832 ' N ' HD13 ' A' ' 65' ' ' LEU . 96.5 m-85 -121.27 134.8 55.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CD1' ' A' ' 54' ' ' TYR . 50.9 mt -117.84 118.4 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -90.78 160.96 15.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 62.3 51.83 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' GLY . 71.9 m -69.8 101.04 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -106.75 160.33 15.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.8 tpt -42.65 -41.29 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -63.63 -37.51 87.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 76' ' ' SER . 6.3 t0 -52.54 -44.08 65.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.603 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.0 OUTLIER -45.1 90.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 74' ' ' ASP . 1.4 t -136.4 173.5 11.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.56 107.27 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 43' ' ' LYS . 36.6 m-85 -97.2 151.86 19.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.2 p90 -157.95 134.99 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.594 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 10.8 p -108.68 147.33 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.104 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.6 p -122.18 136.2 54.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.95 109.47 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.57 -110.73 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -119.31 20.66 12.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 5.8 mm-40 -132.85 161.85 33.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -162.37 146.61 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.437 ' SG ' HD12 ' A' ' 14' ' ' LEU . 7.2 p -131.08 158.03 41.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.5 p -132.92 155.3 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.1 t -143.39 170.41 15.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -122.04 124.68 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 92' ' ' PHE . 3.4 tm? -97.76 134.26 41.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.633 ' N ' HD13 ' A' ' 91' ' ' LEU . 63.6 m-85 -124.69 95.45 4.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.603 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.4 p -91.85 114.48 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -61.82 171.19 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.2 p -122.32 104.67 9.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 146.22 148.72 4.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 98' ' ' SER . 53.7 Cg_endo -69.75 140.98 44.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 97' ' ' PRO . 10.1 t -34.61 -51.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' SER . 30.3 t -36.66 105.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -108.6 102.36 11.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -105.11 43.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.81 157.95 30.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.8 p -158.62 172.98 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -95.09 -63.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.95 -105.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.49 121.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.1 -32.87 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 45.7 m-85 -92.95 105.79 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.07 65.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -152.88 109.29 3.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.7 pp -82.43 158.57 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.3 mt -64.79 147.89 52.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.581 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.3 m-20 -49.45 161.1 0.51 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -15.18 36.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.45 134.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 29.1 m-85 -110.35 162.15 14.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.417 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 54.1 mt-30 -148.44 126.75 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.53 HG11 HG13 ' A' ' 26' ' ' VAL . 6.3 p -138.64 158.46 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -78.94 143.82 35.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 11.2 ttmt -43.81 152.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 42.23 34.01 1.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.31 -144.44 11.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.513 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 16.2 ttm105 -144.7 127.0 15.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.627 HG11 HD21 ' A' ' 91' ' ' LEU . 10.0 m -93.61 159.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -127.27 114.01 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -116.42 108.52 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.5 HG13 ' OE1' ' A' ' 62' ' ' GLN . 56.9 t -108.29 142.84 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 63' ' ' ARG . 20.5 m -142.99 135.88 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -99.53 160.66 14.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -138.71 129.67 26.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.15 -25.07 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -149.87 143.28 16.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.566 0.698 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -29.36 24.22 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -56.34 -29.0 60.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 13.5 mt -65.03 153.42 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -111.14 145.64 38.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG21 ' HG3' ' A' ' 63' ' ' ARG . 18.5 m -111.86 145.41 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -145.11 123.48 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.427 ' HB3' HD12 ' A' ' 48' ' ' ILE . 45.1 m95 -97.32 128.48 44.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.558 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.1 m-85 -126.08 150.83 47.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -129.76 102.38 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 m120 64.04 33.46 12.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.93 25.48 40.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -127.83 134.71 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.01 126.87 30.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' A' ' 41' ' ' TRP . 61.0 mt -90.13 134.9 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -107.77 143.61 27.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.688 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 118.95 5.99 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.334 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 54' ' ' TYR . 20.9 p -149.2 173.18 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.7 m -40.92 -31.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -79.41 -40.6 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' SER . 72.3 m-85 -102.09 113.98 27.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.5 mm -101.3 102.68 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -85.5 116.68 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -125.17 149.34 48.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 7.2 p-80 -136.34 126.15 25.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -138.95 106.24 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 46.65 97.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 60' ' ' GLY . 23.5 m 34.43 48.86 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.76 0.314 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.5 ' OE1' HG13 ' A' ' 29' ' ' VAL . 2.3 tt0 -146.78 142.95 28.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 30' ' ' VAL . 25.9 mmt180 -130.08 120.86 25.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -111.75 153.62 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.684 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.9 tm? -139.35 127.6 22.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.674 ' N ' HD13 ' A' ' 65' ' ' LEU . 94.2 m-85 -118.03 139.96 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.411 HG13 ' CD1' ' A' ' 65' ' ' LEU . 60.5 mt -127.57 100.43 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -74.32 158.4 34.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 65.63 50.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' GLY . 86.7 m -69.9 100.5 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' HG11 ' A' ' 93' ' ' VAL . 6.5 tp-100 -109.28 166.94 10.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.6 tpp -43.72 -44.85 6.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.8 p -61.43 -32.87 72.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 76' ' ' SER . 26.2 t0 -56.7 -44.48 81.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.848 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.738 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.0 OUTLIER -48.3 88.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' ASP . 0.9 OUTLIER -136.37 170.85 15.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -82.23 132.17 35.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CE1' ' O ' ' A' ' 76' ' ' SER . 61.0 m-85 -123.05 143.13 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 20.2 p90 -148.45 125.97 11.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.475 HG12 ' SG ' ' A' ' 87' ' ' CYS . 11.9 p -104.99 145.6 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.6 p -121.32 136.36 54.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.598 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -147.21 110.46 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.96 -109.04 2.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -121.36 20.76 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.74 0.305 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -138.63 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 87' ' ' CYS . 0.2 OUTLIER -164.28 168.36 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 15.1 p -149.07 136.9 20.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.0 m -114.66 157.45 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -146.87 170.57 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -122.8 127.96 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 75' ' ' ASP . 3.2 tm? -97.24 136.31 37.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' N ' HD13 ' A' ' 91' ' ' LEU . 33.1 m-85 -128.66 93.47 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.738 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.6 p -92.67 108.51 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -66.87 170.5 6.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.7 p -116.55 92.85 3.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.7 150.29 5.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 98' ' ' SER . 53.4 Cg_endo -69.8 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' PRO . 22.8 t -36.11 105.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 m -76.73 93.5 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.832 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.988 . . . . . . . . 0 0 . 1 . 015 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 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -120.26 -60.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -128.0 112.17 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.75 78.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -86.82 -48.29 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -86.87 157.55 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -119.86 -50.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 66.84 39.42 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -58.55 -31.16 67.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.473 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 23.8 m-85 -95.95 109.68 22.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -66.01 -31.36 72.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -149.54 107.73 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.5 pp -77.34 149.37 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.837 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.3 mp -48.75 145.31 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.446 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.2 m-20 -45.58 159.83 0.29 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -16.01 37.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.16 133.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 42.5 m-85 -107.61 157.74 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -143.12 126.06 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG11 HG13 ' A' ' 26' ' ' VAL . 5.5 p -143.13 161.55 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.158 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 20' ' ' VAL . 5.7 t0 -79.36 150.75 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' GLY . 18.3 ttpp -47.27 156.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 34.22 38.87 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.479 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.66 -146.95 13.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -141.96 127.85 19.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.728 HG11 HD21 ' A' ' 91' ' ' LEU . 5.4 m -96.66 168.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 70.9 ttp85 -136.81 108.1 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -107.66 112.54 25.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -112.26 142.57 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.478 HG11 HD11 ' A' ' 14' ' ' LEU . 27.2 m -145.73 135.7 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 34.0 mt-10 -101.85 145.97 28.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD21 HG12 ' A' ' 39' ' ' VAL . 4.2 mt -120.39 121.53 38.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.28 -35.36 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -143.66 143.89 25.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -25.99 28.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -54.05 -43.55 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.471 HD13 ' HB1' ' A' ' 9' ' ' ALA . 89.2 mt -62.91 145.91 54.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 39' ' ' VAL . 4.8 tp10 -96.61 157.25 15.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.804 HG21 ' HG3' ' A' ' 63' ' ' ARG . 28.4 m -121.1 141.23 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.494 ' O ' HG23 ' A' ' 80' ' ' VAL . 13.7 mtmm -137.93 126.88 24.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -99.5 135.8 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.577 ' CD1' ' HA ' ' A' ' 47' ' ' GLU . 94.7 m-85 -135.9 150.38 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -133.65 105.62 6.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 66.53 40.48 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' C ' ' HG3' ' A' ' 46' ' ' GLN . . . 68.67 38.35 85.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.405 ' HG3' ' C ' ' A' ' 45' ' ' GLY . 31.6 mt-30 -145.97 114.57 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 25.1 tt0 -48.16 141.87 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 54' ' ' TYR . 77.2 mt -101.48 138.3 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -104.13 143.3 26.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.03 4.37 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -156.81 174.46 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.8 m -40.84 -36.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -73.07 -47.02 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 48' ' ' ILE . 71.3 m-85 -103.02 114.0 27.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 mm -102.73 101.48 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -89.26 119.41 29.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -129.8 156.43 44.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -135.51 114.6 12.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -133.4 91.96 2.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 60.75 89.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' GLY . 81.8 m 34.43 40.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -140.73 105.9 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.804 ' HG3' HG21 ' A' ' 39' ' ' VAL . 19.5 mmt180 -92.49 121.16 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.451 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 9.8 mt -106.74 141.34 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.85 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.4 tm? -131.88 126.36 34.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.85 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.4 m-85 -117.58 130.97 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.495 ' CD1' ' CE2' ' A' ' 78' ' ' TYR . 72.7 mt -117.1 110.64 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -86.52 152.97 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.7 t30 72.76 51.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 77.7 m -73.3 108.55 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.484 ' O ' HG11 ' A' ' 93' ' ' VAL . 1.8 tp-100 -110.64 150.74 28.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.637 ' HA ' HG13 ' A' ' 93' ' ' VAL . 3.1 mtt -47.57 -49.69 25.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.6 p -65.57 -38.3 89.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' ASP . 7.6 m-20 -56.33 -42.24 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.496 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -34.49 113.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 m -136.99 171.41 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -91.18 107.31 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 35.0 m-85 -87.06 153.58 21.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 19.1 p90 -158.51 123.13 4.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 40' ' ' LYS . 14.8 p -103.52 148.79 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.4 p -122.66 131.92 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -133.79 98.84 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.78 -114.26 4.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -107.97 30.56 6.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -148.34 171.88 15.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -163.09 168.25 21.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 13' ' ' ILE . 2.3 m -128.0 -174.97 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 p -163.68 143.49 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.2 t -148.69 165.81 30.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -119.89 129.43 54.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.728 HD21 HG11 ' A' ' 26' ' ' VAL . 3.5 tm? -96.16 126.45 41.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.428 ' N ' HD13 ' A' ' 91' ' ' LEU . 41.3 m-85 -122.21 93.14 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.637 HG13 ' HA ' ' A' ' 72' ' ' MET . 2.5 p -94.6 116.33 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -68.4 -178.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.6 p -121.44 77.3 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.23 -149.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 110.44 2.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.371 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.6 p -115.55 165.48 12.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 m -44.91 148.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -140.04 172.35 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -38.88 115.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.28 82.51 1.02 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -72.38 84.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 m -124.91 88.81 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.63 89.08 0.48 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.24 109.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.95 -36.76 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 17.7 m-85 -97.85 114.6 26.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.871 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -69.42 -28.68 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -152.21 107.01 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 pt -73.61 150.73 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.585 HD22 ' HD2' ' A' ' 28' ' ' PHE . 9.1 mt -54.56 145.29 19.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -50.5 156.88 1.38 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -13.55 34.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.06 137.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 7.7 m-85 -108.74 164.27 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -147.35 119.1 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.513 ' HB ' HG12 ' A' ' 26' ' ' VAL . 6.1 p -143.76 158.6 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.75 150.61 34.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' GLY . 20.9 ttpt -47.0 153.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.36 34.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -99.45 -143.98 15.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -144.12 120.62 11.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.601 HG13 ' SG ' ' A' ' 70' ' ' CYS . 34.0 m -92.98 168.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.63 ' NH2' HG21 ' A' ' 29' ' ' VAL . 25.2 ttt-85 -139.3 108.02 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.585 ' HD2' HD22 ' A' ' 14' ' ' LEU . 5.1 m-85 -104.94 108.49 20.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.63 HG21 ' NH2' ' A' ' 27' ' ' ARG . 98.0 t -104.93 139.8 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 63' ' ' ARG . 26.8 m -144.05 141.6 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.871 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -107.87 153.58 22.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 HH11 ' A' ' 63' ' ' ARG . 6.3 mt -127.95 134.35 49.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.99 -31.38 60.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -153.97 143.71 15.29 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.655 0.741 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.47 16.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.73 2.287 . . . . 0.0 112.376 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.55 -33.2 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.62 162.2 29.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -106.4 169.76 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.0 HG21 ' HG2' ' A' ' 63' ' ' ARG . 16.6 m -139.89 139.54 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 43.2 mttt -144.3 124.02 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.436 ' C ' HD12 ' A' ' 48' ' ' ILE . 51.1 m95 -96.32 132.31 41.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.586 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 95.5 m-85 -127.87 149.33 50.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -132.08 105.96 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.9 m120 64.94 42.37 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.7 35.75 74.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -140.94 121.31 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 42' ' ' TYR . 49.2 tt0 -57.05 129.32 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.436 HD12 ' C ' ' A' ' 41' ' ' TRP . 23.8 mt -92.4 143.12 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.66 147.11 39.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 119.29 6.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.396 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' THR . 31.9 p -157.74 171.71 19.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' SER . 24.5 p -35.87 -38.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.157 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -74.91 -49.48 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -102.88 114.49 28.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mm -102.36 107.31 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -88.93 115.59 26.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -116.26 116.93 28.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -103.5 111.73 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -120.19 87.47 2.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.11 -87.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.2 m -129.39 42.65 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -147.11 109.14 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 1.0 ' HG2' HG21 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -97.57 105.93 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.446 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.6 mp -95.98 151.12 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.563 HD13 ' N ' ' A' ' 66' ' ' PHE . 3.1 tm? -138.35 127.69 24.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.563 ' N ' HD13 ' A' ' 65' ' ' LEU . 98.0 m-85 -115.8 125.41 52.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.437 ' HB ' HG22 ' A' ' 26' ' ' VAL . 25.3 mt -112.14 109.26 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -86.8 159.61 19.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 65.71 39.08 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.654 ' O ' HG21 ' A' ' 93' ' ' VAL . 92.1 m -61.75 99.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.41 146.03 26.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.639 ' HA ' HG13 ' A' ' 93' ' ' VAL . 59.2 tpp -50.81 -41.81 57.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 t -74.22 -18.36 60.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.77 -27.56 36.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.603 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -46.16 113.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.5 m -136.72 173.17 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -89.95 107.02 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -89.28 147.51 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 34.8 p90 -148.85 128.92 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.56 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 8.2 p -107.74 145.64 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.516 HG22 ' CB ' ' A' ' 86' ' ' LYS . 67.1 p -121.12 132.86 55.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.506 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -134.8 99.67 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.28 -113.1 4.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.18 26.03 11.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -142.86 159.67 41.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.516 ' CB ' HG22 ' A' ' 81' ' ' THR . 8.0 pttp -166.16 151.04 8.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 18.8 p -131.14 172.53 12.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 m -138.74 157.63 45.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 t -150.41 164.08 36.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -114.44 134.92 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 75' ' ' ASP . 2.4 tm? -104.43 121.46 43.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.482 ' N ' HD22 ' A' ' 91' ' ' LEU . 56.7 m-85 -113.14 93.38 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.654 HG21 ' O ' ' A' ' 70' ' ' CYS . 2.7 p -95.11 111.94 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -58.93 171.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 t -115.12 -72.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.53 123.49 0.68 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -30.22 22.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -71.49 100.25 2.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.1 t -48.34 156.55 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -146.24 170.44 16.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -57.57 106.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.93 -132.4 5.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 m -154.93 174.07 15.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -99.9 -53.39 3.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.04 -120.33 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.07 38.7 29.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.07 65.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 44.6 m-85 -106.74 110.3 22.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.27 -26.87 47.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 108.73 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.3 pt -82.09 175.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.565 HD11 HG11 ' A' ' 30' ' ' VAL . 3.6 mp -85.85 155.17 21.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.11 153.8 6.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.72 21.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.284 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.04 128.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -107.45 161.06 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -144.13 128.52 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.544 ' HB ' HG12 ' A' ' 26' ' ' VAL . 4.3 p -144.11 165.14 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.465 ' H ' HG22 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -84.6 155.82 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -54.66 154.51 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.437 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 41.33 28.75 0.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.17 -145.96 17.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -145.96 128.83 16.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.605 HG13 ' SG ' ' A' ' 70' ' ' CYS . 20.3 m -94.56 168.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.489 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 27.5 ttm180 -133.46 121.65 22.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -122.58 107.99 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.811 HG13 ' OE1' ' A' ' 62' ' ' GLN . 45.7 t -108.02 140.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG11 HD11 ' A' ' 14' ' ' LEU . 25.3 m -148.27 136.63 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -102.93 162.54 12.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD21 ' CG1' ' A' ' 39' ' ' VAL . 5.7 mt -132.08 127.75 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.04 -20.35 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -158.56 144.44 12.35 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.35 24.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.262 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -58.2 -24.39 58.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -74.55 140.59 44.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -89.54 164.53 14.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.491 HG21 ' HG3' ' A' ' 63' ' ' ARG . 13.5 m -136.5 143.57 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 23.3 mmtp -144.73 125.3 14.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -96.37 135.11 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 93.7 m-85 -135.31 149.64 49.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -129.6 112.71 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 55.93 29.69 14.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.32 28.38 27.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.07 122.76 36.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 44.0 tt0 -63.3 115.43 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.6 mt -85.39 137.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 153.83 48.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 121.07 7.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.384 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' TYR . 3.9 m -160.18 169.46 23.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 74.6 m -37.92 -37.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -75.48 -43.32 49.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' SER . 57.6 m-85 -103.49 113.95 27.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mm -98.56 103.65 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -89.63 116.14 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -123.25 158.69 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -140.67 125.5 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -145.62 109.15 4.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 51.56 88.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 60' ' ' GLY . 44.4 m 33.63 43.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.761 0.315 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.811 ' OE1' HG13 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -145.96 132.25 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.491 ' HG3' HG21 ' A' ' 39' ' ' VAL . 13.4 mmm180 -117.61 129.58 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.501 HD11 ' NE2' ' A' ' 62' ' ' GLN . 3.9 mp -111.32 150.36 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.569 HD13 ' N ' ' A' ' 66' ' ' PHE . 3.3 tm? -134.4 128.97 34.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' N ' HD13 ' A' ' 65' ' ' LEU . 78.1 m-85 -119.32 128.05 53.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 65' ' ' LEU . 50.4 mt -116.17 113.2 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -90.91 156.9 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 74.96 42.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.605 ' SG ' HG13 ' A' ' 26' ' ' VAL . 94.2 m -65.92 102.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.529 ' O ' HG11 ' A' ' 93' ' ' VAL . 6.0 tp-100 -107.19 151.3 25.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.617 ' HA ' HG13 ' A' ' 93' ' ' VAL . 2.8 mmt -50.55 -46.74 57.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.8 p -69.27 -29.69 67.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 75' ' ' ASP . 2.2 m-20 -66.17 -40.01 90.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.634 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.7 OUTLIER -34.24 110.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -137.13 170.49 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.25 132.6 34.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -115.05 144.03 44.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 28.4 p90 -153.13 123.02 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 p -101.75 145.18 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.9 p -117.72 143.23 46.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.534 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -155.87 113.77 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.26 -109.99 2.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -120.83 12.07 11.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -129.71 167.62 17.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -166.07 152.35 9.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 13.1 p -126.06 169.43 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 p -142.0 158.64 43.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 t -150.77 165.26 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -118.02 130.94 56.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 75' ' ' ASP . 3.2 tm? -97.12 129.69 44.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -122.77 96.56 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.617 HG13 ' HA ' ' A' ' 72' ' ' MET . 2.3 p -95.97 122.38 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 12.8 mtp-105 -82.3 149.34 27.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.415 ' N ' ' HE2' ' A' ' 72' ' ' MET . 42.2 t -134.33 83.17 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -114.22 139.14 15.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 98' ' ' SER . 53.4 Cg_endo -69.81 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' PRO . 91.2 p 36.13 39.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 87.7 p -111.99 -4.83 14.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m 41.47 42.59 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -91.91 90.22 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.77 -66.54 0.32 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m 39.2 43.47 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m -141.05 125.39 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.91 -94.32 1.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.07 117.53 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -110.09 -32.94 6.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.611 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 61.1 m-85 -94.72 125.24 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -84.9 -22.83 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -153.48 107.49 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.6 pt -79.18 166.71 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 30' ' ' VAL . 4.2 mp -80.22 155.05 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 61.8 m-20 -54.32 153.16 10.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.722 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -8.91 24.81 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.71 134.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 22.1 m-85 -111.83 165.87 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -147.13 125.46 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.572 HG11 HG13 ' A' ' 26' ' ' VAL . 4.7 p -145.05 161.49 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -82.49 156.87 23.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.2 ttmt -51.17 152.31 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 36.02 35.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -99.35 -141.48 12.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -143.5 124.8 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.89 HG11 HD21 ' A' ' 91' ' ' LEU . 6.8 m -99.62 164.64 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 25.7 ttm180 -129.33 128.27 42.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.476 ' HZ ' HD23 ' A' ' 91' ' ' LEU . 66.9 m-85 -136.18 107.6 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -123.43 152.53 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 14' ' ' LEU . 8.1 m -148.76 143.43 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 10.1 tt0 -99.29 160.01 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -134.36 132.88 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.57 -32.72 67.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -147.22 143.58 18.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.93 37.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -63.35 -34.54 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.627 HD13 ' HB1' ' A' ' 9' ' ' ALA . 79.1 mt -67.25 155.04 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.02 153.69 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.602 HG11 ' HG3' ' A' ' 63' ' ' ARG . 30.1 m -118.28 146.76 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 21.0 mmtp -149.21 123.5 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.46 ' HB3' HD12 ' A' ' 48' ' ' ILE . 63.1 m95 -96.3 128.15 42.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.582 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 98.6 m-85 -125.56 144.31 50.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -128.51 109.87 11.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.5 m120 62.93 35.26 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.87 36.83 40.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -144.86 141.04 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -68.83 136.72 53.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 41' ' ' TRP . 50.8 mt -96.15 131.08 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -104.36 143.89 27.59 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.9 12.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 t -155.05 178.59 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 t -49.69 -18.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 54' ' ' TYR . 28.5 ttpt -91.94 -41.78 10.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.677 ' C ' HD12 ' A' ' 55' ' ' ILE . 73.5 m-85 -100.87 113.92 27.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.677 HD12 ' C ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -106.26 101.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -87.54 132.42 34.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.66 119.38 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -97.37 118.12 33.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -130.01 86.5 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.83 -115.45 7.57 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 m -99.28 38.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -138.83 143.83 39.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.602 ' HG3' HG11 ' A' ' 39' ' ' VAL . 82.0 mmt-85 -127.31 112.77 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.68 151.24 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.741 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.6 tm? -146.48 128.42 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.677 ' N ' HD13 ' A' ' 65' ' ' LEU . 86.9 m-85 -119.57 139.17 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 26' ' ' VAL . 31.6 mt -120.16 102.24 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -76.87 159.39 30.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 64.63 51.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.498 ' SG ' HG13 ' A' ' 26' ' ' VAL . 77.6 m -73.69 98.09 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.525 ' O ' HG11 ' A' ' 93' ' ' VAL . 12.4 tp-100 -101.77 159.74 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.1 mtp -41.92 -55.83 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.7 p -53.06 -29.53 30.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 76' ' ' SER . 5.6 t0 -54.64 -49.22 71.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 74' ' ' ASP . 0.9 OUTLIER -34.6 93.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 74' ' ' ASP . 22.0 m -136.52 171.97 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -87.42 130.85 34.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -119.61 142.9 47.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 27.2 p90 -150.55 130.6 13.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.4 p -110.8 144.92 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.8 p -114.13 145.14 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -158.8 107.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.44 -121.76 9.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -108.77 30.03 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.693 0.283 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -144.46 166.07 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -165.78 146.98 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.5 p -126.65 178.52 5.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.6 p -153.15 154.68 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 t -144.16 174.52 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -130.55 127.24 38.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.89 HD21 HG11 ' A' ' 26' ' ' VAL . 2.2 tm? -97.97 122.91 41.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.685 ' N ' HD13 ' A' ' 91' ' ' LEU . 38.3 m-85 -112.7 96.17 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.525 HG11 ' O ' ' A' ' 71' ' ' GLN . 2.1 p -93.19 122.18 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -83.29 176.52 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.0 t -111.45 110.36 20.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.11 123.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.53 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 103.12 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.4 m -52.7 143.78 15.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.3 m 60.25 41.04 17.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.486 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -109.22 46.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -111.01 91.84 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.68 -149.56 4.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -130.3 163.5 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -119.57 120.15 35.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.61 -124.08 3.43 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.0 124.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.612 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -113.4 -30.58 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 48.4 m-85 -100.22 119.88 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -84.1 -22.12 31.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -152.3 106.91 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -78.42 152.56 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.492 HD21 HG13 ' A' ' 30' ' ' VAL . 6.4 mt -59.87 144.16 49.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.548 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.9 m-20 -46.13 160.44 0.3 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 110.824 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -19.4 36.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -175.01 137.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 28.9 m-85 -109.22 172.01 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -150.57 122.16 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.612 ' HB ' HG12 ' A' ' 26' ' ' VAL . 10.0 p -139.58 169.58 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.597 ' H ' HG22 ' A' ' 20' ' ' VAL . 3.0 p-10 -89.38 139.84 30.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 20.1 ttpt -39.22 159.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 36.41 36.59 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.51 -148.45 11.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -144.5 123.76 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.863 HG11 HD21 ' A' ' 91' ' ' LEU . 24.3 m -95.21 169.03 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.564 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 27.0 ttt85 -130.26 120.53 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.503 ' CE2' HD13 ' A' ' 67' ' ' ILE . 23.2 m-85 -122.33 107.42 12.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.49 146.18 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG13 HD21 ' A' ' 14' ' ' LEU . 19.6 m -141.09 155.05 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 16.7 tt0 -103.47 158.18 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -131.18 133.13 45.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -19.12 65.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -154.73 141.53 13.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -27.4 26.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -63.18 -27.48 69.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.612 HD13 ' HB1' ' A' ' 9' ' ' ALA . 67.4 mt -67.28 132.77 48.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 169.44 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.36 143.15 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 2.0 mtmp? -145.92 125.04 12.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -95.79 135.28 37.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 67.8 m-85 -126.92 157.66 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 78' ' ' TYR . 20.2 tptp -133.64 135.4 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.3 t30 39.14 25.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . 87.94 35.04 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' LYS . 25.3 mt-30 -148.53 121.68 8.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.311 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -43.0 146.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.3 mt -107.08 139.93 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -103.7 140.0 20.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 113.65 3.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' TYR . 35.2 m -147.39 169.03 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.6 m -43.38 -30.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -71.87 -38.54 70.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' SER . 85.3 m-85 -106.69 122.94 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.0 mm -98.8 102.25 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -91.7 118.5 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -120.08 121.51 39.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.519 ' ND1' ' CZ ' ' A' ' 63' ' ' ARG . 3.3 t-160 -101.41 117.9 35.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' GLY . 5.6 ttmm -130.13 146.24 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . . . -30.48 116.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.7 m 40.68 49.5 2.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' LYS . 15.0 tt0 -168.61 137.1 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.519 ' CZ ' ' ND1' ' A' ' 58' ' ' HIS . 22.3 mmt180 -131.92 130.65 41.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 mp -119.57 151.44 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.837 HD13 ' C ' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -147.09 131.42 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 27' ' ' ARG . 33.0 m-85 -119.68 147.96 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.633 HD11 ' CD1' ' A' ' 65' ' ' LEU . 3.8 mp -126.72 114.1 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -85.69 159.29 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.28 43.38 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.639 ' O ' HG21 ' A' ' 93' ' ' VAL . 88.4 m -66.91 96.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.575 ' O ' HG11 ' A' ' 93' ' ' VAL . 7.4 tp-100 -101.96 169.93 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.4 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -65.91 -15.99 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.8 t -92.17 -26.43 18.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.159 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.86 -37.29 55.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.754 ' HB3' HG12 ' A' ' 93' ' ' VAL . 8.9 p-10 -40.11 98.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.427 ' HB2' ' CE ' ' A' ' 43' ' ' LYS . 1.6 m -136.76 172.0 13.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -92.55 109.48 20.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 43' ' ' LYS . 18.2 m-85 -89.9 148.1 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 42' ' ' TYR . 46.6 p90 -142.66 132.12 23.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.589 HG12 ' SG ' ' A' ' 87' ' ' CYS . 10.6 p -108.75 155.43 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.407 ' N ' HG22 ' A' ' 80' ' ' VAL . 71.8 p -125.02 145.0 50.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.529 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -155.71 107.65 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.58 -109.73 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.35 18.42 14.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -133.41 166.95 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -164.96 146.27 7.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.589 ' SG ' HG12 ' A' ' 80' ' ' VAL . 23.4 p -124.06 171.65 9.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.5 p -148.6 153.4 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.1 t -141.06 160.84 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -112.23 127.96 56.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.863 HD21 HG11 ' A' ' 26' ' ' VAL . 3.2 tm? -96.11 133.41 40.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.705 ' N ' HD13 ' A' ' 91' ' ' LEU . 38.1 m-85 -128.15 96.14 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.754 HG12 ' HB3' ' A' ' 75' ' ' ASP . 6.5 p -100.15 109.87 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -73.88 172.48 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 55.6 p -106.93 91.07 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.58 161.95 28.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.34 50.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.0 p -85.26 109.04 18.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.5 t -173.29 150.17 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -60.69 158.59 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m 56.13 44.03 25.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.65 172.83 28.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 m -126.78 109.54 12.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 p -91.36 134.99 34.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.87 98.0 0.95 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.69 117.89 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . -118.67 -32.94 4.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 73.8 m-85 -93.78 120.27 33.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.89 -34.74 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -133.07 89.44 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.5 pt -68.63 165.06 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.5 HD21 HG13 ' A' ' 30' ' ' VAL . 4.6 mt -71.85 136.19 46.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.567 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.8 m-20 -38.93 156.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.655 0.74 . . . . 0.0 110.843 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -14.21 35.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.07 135.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 27.6 m-85 -112.44 162.29 15.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 56.3 mt-30 -150.62 120.38 7.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.652 HG11 HG13 ' A' ' 26' ' ' VAL . 8.6 p -136.44 167.81 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.569 ' N ' HG22 ' A' ' 20' ' ' VAL . 10.5 m-20 -85.93 143.32 28.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HA ' ' CG2' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -42.27 156.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.82 29.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -100.53 -147.74 21.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -143.16 123.39 13.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.977 HG11 HD21 ' A' ' 91' ' ' LEU . 9.9 m -95.28 155.67 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -121.19 118.75 30.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.474 ' HZ ' HD23 ' A' ' 91' ' ' LEU . 50.6 m-85 -119.11 107.86 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.639 HG22 HG23 ' A' ' 64' ' ' ILE . 96.7 t -111.1 137.34 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG13 HD21 ' A' ' 14' ' ' LEU . 35.9 m -134.97 125.93 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -97.73 142.99 28.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -118.02 131.27 56.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.7 -18.68 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' OD1' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -140.79 127.68 11.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.13 31.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -59.65 -43.34 93.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' OD1' ' A' ' 34' ' ' ASP . 88.2 mt -66.65 142.72 57.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -95.13 170.32 9.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.8 HG21 ' HG3' ' A' ' 63' ' ' ARG . 23.8 m -125.36 151.67 31.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -148.11 124.22 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.48 ' HB3' HD12 ' A' ' 48' ' ' ILE . 54.7 m95 -97.14 135.15 39.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.433 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 97.0 m-85 -133.6 155.52 49.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -132.62 98.99 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 61.99 43.23 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.27 32.0 56.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -137.2 120.53 16.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.74 0.305 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -57.5 135.91 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 41' ' ' TRP . 47.6 mt -97.65 135.62 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -110.65 147.35 36.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.01 6.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.8 p -148.3 -175.13 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 t -56.72 -20.84 24.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HE2' HG23 ' A' ' 67' ' ' ILE . 41.1 tttt -91.12 -40.01 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -102.54 120.54 40.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mm -110.69 111.54 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -94.65 114.36 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' HD12 ' A' ' 64' ' ' ILE . 91.2 mt-10 -122.83 131.12 53.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -111.96 122.71 48.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -134.87 87.83 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.57 96.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.8 m 40.74 47.45 2.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.757 0.313 . . . . 0.0 110.823 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -152.3 105.38 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.8 ' HG3' HG21 ' A' ' 39' ' ' VAL . 30.1 mmt180 -99.76 112.81 25.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.639 HG23 HG22 ' A' ' 29' ' ' VAL . 3.0 mp -103.54 144.7 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.72 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.7 tm? -132.05 128.1 37.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.72 ' N ' HD13 ' A' ' 65' ' ' LEU . 70.7 m-85 -114.79 131.65 56.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.626 HG23 ' HE2' ' A' ' 53' ' ' LYS . 67.6 mt -119.77 105.43 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -85.22 168.07 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 62.24 40.97 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 23' ' ' GLY . 99.7 m -59.43 97.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 74' ' ' ASP . 1.0 OUTLIER -103.92 155.75 18.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 95' ' ' SER . 22.2 mmt -47.06 -27.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.8 p -80.77 -29.55 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 13.9 m-20 -62.9 -40.3 97.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.526 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -44.46 94.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 2.3 m -136.47 162.82 32.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -79.28 109.13 13.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 76' ' ' SER . 23.9 m-85 -95.23 144.59 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 42' ' ' TYR . 26.1 p90 -146.25 133.45 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.969 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -110.35 138.9 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.3 p -114.17 135.75 53.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -145.82 107.92 4.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.7 -109.75 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -117.57 10.5 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 73.0 mm-40 -129.39 159.38 36.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -161.77 165.8 27.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 2.6 m -151.5 154.18 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.1 p -126.0 155.18 41.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.6 t -134.83 169.49 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.587 ' OE1' ' CD2' ' A' ' 92' ' ' PHE . 5.8 tm-20 -114.65 138.18 51.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.977 HD21 HG11 ' A' ' 26' ' ' VAL . 3.0 tm? -112.8 125.37 54.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.587 ' CD2' ' OE1' ' A' ' 90' ' ' GLU . 51.3 m-85 -122.81 93.46 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.526 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.5 p -89.75 110.5 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -79.63 173.8 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.478 ' HB3' ' CE ' ' A' ' 72' ' ' MET . 52.8 p -147.39 119.43 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.6 145.84 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.5 19.42 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.725 2.284 . . . . 0.0 112.325 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 p 38.91 46.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.7 t -69.78 107.12 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.824 0.345 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.539 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 35.7 m-85 -92.65 114.88 27.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -71.3 -29.74 65.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -149.89 110.07 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.8 pp -77.3 163.36 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.5 mt -70.43 152.51 43.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.539 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.1 m-20 -53.87 155.77 5.72 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.85 33.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.67 131.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.539 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 23.8 m-85 -108.16 166.48 10.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -150.26 126.66 10.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.477 ' HB ' HG12 ' A' ' 26' ' ' VAL . 5.8 p -144.05 164.14 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.44 ' N ' HG22 ' A' ' 20' ' ' VAL . 3.3 p30 -81.59 155.69 25.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' GLY . 21.3 ttpp -53.47 158.3 1.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.96 30.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -101.27 -146.8 19.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -145.93 127.37 15.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.729 HG11 HD21 ' A' ' 91' ' ' LEU . 28.0 m -93.24 165.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 52.3 ttp180 -128.92 113.81 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -116.45 110.11 18.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.939 HG22 HG23 ' A' ' 64' ' ' ILE . 49.9 t -116.76 142.73 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 HD21 ' A' ' 14' ' ' LEU . 21.0 m -144.21 142.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -105.97 149.54 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD21 HG12 ' A' ' 39' ' ' VAL . 5.9 mt -123.71 132.2 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.27 -30.51 50.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.55 143.51 16.12 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -21.55 33.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -53.53 -40.56 65.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.82 159.64 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -112.17 145.91 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.709 HG21 ' HG3' ' A' ' 63' ' ' ARG . 35.8 m -107.66 144.73 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 21.9 mtmt -143.3 126.64 16.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -99.48 138.59 36.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 99.2 m-85 -137.55 145.74 43.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -127.47 104.49 7.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 64.76 43.34 4.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.85 35.77 80.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -141.95 120.76 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.733 0.301 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.517 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 53.9 tt0 -57.3 130.3 45.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -90.04 136.66 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -103.3 143.38 26.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 115.62 4.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' TYR . 4.3 t -152.98 168.58 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' SER . 35.1 p -36.8 -39.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -70.35 -43.98 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 51' ' ' SER . 78.8 m-85 -101.25 114.65 28.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mm -101.32 105.57 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -93.37 114.59 27.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.745 0.307 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -142.04 139.63 32.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.709 ' HG3' HG21 ' A' ' 39' ' ' VAL . 66.2 mmt-85 -126.95 113.78 16.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.939 HG23 HG22 ' A' ' 29' ' ' VAL . 2.1 mp -103.95 149.14 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.762 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -140.49 128.52 22.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.75 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.0 m-85 -119.21 134.09 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.463 HG13 ' CD1' ' A' ' 65' ' ' LEU . 53.2 mt -119.62 108.86 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.184 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -84.58 159.82 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 69.67 41.17 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLY . 83.1 m -67.58 102.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.503 ' O ' HG11 ' A' ' 93' ' ' VAL . 12.7 tp-100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.682 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.1 t0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.814 0.34 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.41 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 5.1 m -136.51 170.27 16.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -81.33 138.89 35.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CE1' ' O ' ' A' ' 76' ' ' SER . 76.2 m-85 -125.93 140.2 52.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 26.5 p90 -147.75 125.98 12.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.973 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.67 142.73 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.416 HG22 ' CB ' ' A' ' 86' ' ' LYS . 78.4 p -115.95 142.61 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -152.91 111.7 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.14 -115.67 5.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.91 27.4 9.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -144.95 162.87 35.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.416 ' CB ' HG22 ' A' ' 81' ' ' THR . 11.9 pttp -164.38 153.14 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.0 p -131.39 173.72 10.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.0 p -143.99 156.36 44.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -147.75 168.86 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -122.35 131.22 53.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.729 HD21 HG11 ' A' ' 26' ' ' VAL . 3.1 tm? -97.32 131.75 43.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.712 ' N ' HD13 ' A' ' 91' ' ' LEU . 54.1 m-85 -121.26 96.37 5.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 75' ' ' ASP . 5.2 p -101.06 121.5 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.779 0.323 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 42.5 m-85 -99.01 109.28 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -33.41 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -143.37 105.07 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 pt -73.56 160.03 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.608 HD21 HG13 ' A' ' 30' ' ' VAL . 6.7 mt -66.38 140.41 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -41.82 154.06 0.26 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.555 0.693 . . . . 0.0 110.858 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.13 25.35 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.82 139.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 16.4 m-85 -117.52 164.22 15.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -148.51 124.28 10.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.516 ' HB ' HG12 ' A' ' 26' ' ' VAL . 3.5 p -140.18 163.8 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 20' ' ' VAL . 1.7 t70 -82.16 155.16 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' GLY . 4.8 ttpm? -51.94 154.72 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.48 30.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.422 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -100.81 -148.74 22.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -140.71 126.49 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.751 HG11 HD21 ' A' ' 91' ' ' LEU . 16.8 m -92.52 162.19 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -128.77 118.56 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -119.33 112.59 19.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.49 HG22 HG12 ' A' ' 64' ' ' ILE . 44.6 t -112.32 140.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.608 HG13 HD21 ' A' ' 14' ' ' LEU . 28.9 m -145.25 132.08 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -97.87 155.67 16.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 mt -129.19 127.85 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.27 -30.13 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -151.42 142.92 15.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -17.61 37.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -63.57 -29.2 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 mt -78.16 136.85 37.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -84.75 178.87 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.497 HG21 ' HG3' ' A' ' 63' ' ' ARG . 29.2 m -145.42 151.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -150.16 124.71 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -96.77 134.88 39.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.446 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 86.9 m-85 -128.33 150.69 49.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -132.35 96.52 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 72.75 37.91 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.53 33.52 47.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -142.54 134.43 27.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -67.59 134.46 51.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -93.96 140.96 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -110.17 143.65 28.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 121.67 8.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 t -157.59 -179.95 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -49.43 -19.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -90.24 -47.81 7.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -100.86 120.3 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.439 HG22 ' OE2' ' A' ' 57' ' ' GLU . 2.1 mm -108.76 112.74 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -100.51 120.57 40.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' OE2' HG22 ' A' ' 55' ' ' ILE . 31.8 mp0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.771 0.319 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -134.18 104.12 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.497 ' HG3' HG21 ' A' ' 39' ' ' VAL . 12.7 mmt-85 -91.89 119.03 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.49 HG12 HG22 ' A' ' 29' ' ' VAL . 17.2 mt -109.15 139.2 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.612 ' C ' HD13 ' A' ' 65' ' ' LEU . 3.3 tm? -128.58 128.76 44.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.6 ' N ' HD13 ' A' ' 65' ' ' LEU . 95.4 m-85 -117.48 129.85 56.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.442 HG13 ' CD1' ' A' ' 65' ' ' LEU . 50.0 mt -116.54 112.48 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -85.47 167.42 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 61.65 44.55 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' GLY . 93.2 m -67.18 97.47 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.436 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.455 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 28.3 p -136.46 165.32 26.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -85.72 107.09 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 76' ' ' SER . 15.3 m-85 -97.21 145.11 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 20.5 p90 -149.6 131.03 14.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.535 HG22 ' N ' ' A' ' 81' ' ' THR . 13.0 p -103.15 161.65 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.535 ' N ' HG22 ' A' ' 80' ' ' VAL . 65.0 p -131.77 141.4 49.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.454 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -150.57 112.52 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.17 -103.49 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.43 8.43 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 56.4 mm-40 -119.42 159.91 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -161.44 146.65 13.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 t -134.56 166.11 23.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.8 t -135.56 169.58 17.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.2 t -150.74 173.31 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.92 123.8 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.751 HD21 HG11 ' A' ' 26' ' ' VAL . 2.9 tm? -97.11 132.96 42.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.738 ' N ' HD13 ' A' ' 91' ' ' LEU . 60.0 m-85 -125.37 95.68 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.6 p -93.27 121.72 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.6 mtp85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.779 0.323 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 32.4 m-85 -102.5 106.5 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -67.48 -32.34 73.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -146.24 105.45 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.7 pp -77.28 162.58 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.1 mt -69.02 149.4 48.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 14.3 m-20 -50.02 156.37 1.35 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -10.07 27.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 0.0 112.389 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.67 144.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 26.9 m-85 -122.17 162.36 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -147.3 126.22 12.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.583 HG22 ' H ' ' A' ' 21' ' ' ASP . 6.4 p -141.75 168.82 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.583 ' H ' HG22 ' A' ' 20' ' ' VAL . 2.6 p30 -88.46 140.98 28.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 14.5 ttpp -40.49 155.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.454 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 38.54 37.84 0.58 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.8 -144.71 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -144.43 128.09 17.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.748 HG11 HD21 ' A' ' 91' ' ' LEU . 34.5 m -98.16 168.91 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 27' ' ' ARG . 22.8 ttm105 -124.76 127.55 47.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.618 ' HE2' HG21 ' A' ' 26' ' ' VAL . 62.8 m-85 -137.72 107.41 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 30' ' ' VAL . 6.8 p -134.93 154.92 37.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.451 ' N ' HG22 ' A' ' 29' ' ' VAL . 18.6 m -146.57 170.9 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 33.7 mt-10 -119.42 139.91 51.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.512 HD21 ' CG1' ' A' ' 39' ' ' VAL . 4.3 mt -110.92 124.3 51.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.49 -25.75 11.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 2.9 t70 -150.2 140.49 14.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' ' 34' ' ' ASP . 53.9 Cg_endo -69.78 -17.77 37.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -65.64 -34.62 78.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD13 ' HB1' ' A' ' 9' ' ' ALA . 73.9 mt -64.9 159.54 22.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -111.7 155.78 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.632 HG11 ' HG3' ' A' ' 63' ' ' ARG . 34.8 m -118.59 145.77 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -146.01 123.43 11.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.628 ' HB3' HD12 ' A' ' 48' ' ' ILE . 65.2 m95 -97.12 138.5 34.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.445 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.4 m-85 -137.51 150.55 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -132.2 105.76 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 59.72 37.44 22.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.45 30.02 42.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.94 129.89 42.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 33.0 tt0 -65.05 131.61 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.628 HD12 ' HB3' ' A' ' 41' ' ' TRP . 60.9 mt -98.08 135.85 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mtp-105 -117.73 151.37 48.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.694 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 116.92 4.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.629 2.219 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' TYR . 1.1 t -154.54 169.07 24.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 48.8 p -35.55 -35.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.172 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' SER . 45.1 tttm -78.3 -44.83 24.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' SER . 69.5 m-85 -102.28 120.39 40.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mm -107.8 111.6 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -94.91 116.71 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 97.7 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.774 0.321 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -141.31 106.57 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.632 ' HG3' HG11 ' A' ' 39' ' ' VAL . 26.0 mmt180 -100.58 112.65 25.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.542 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.5 mt -99.52 154.23 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.729 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.6 tm? -145.67 128.85 16.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.729 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.8 m-85 -122.52 134.88 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.3 mt -117.28 119.29 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -91.46 160.43 15.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 65.42 49.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' A' ' 26' ' ' VAL . 28.7 m -65.38 99.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.1 t0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -135.5 168.74 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -83.21 108.16 16.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -96.85 141.7 29.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 36.9 p90 -147.97 128.49 14.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.488 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 14.6 p -106.78 144.56 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.3 p -117.41 140.51 49.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.422 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -151.68 110.66 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.99 -107.97 2.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.95 10.54 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 27.6 mm-40 -125.93 158.64 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -159.97 151.52 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.44 173.11 12.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 p -142.36 161.58 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -144.65 171.12 14.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -125.72 126.41 44.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.748 HD21 HG11 ' A' ' 26' ' ' VAL . 3.3 tm? -98.15 132.74 43.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.652 ' N ' HD13 ' A' ' 91' ' ' LEU . 41.1 m-85 -123.78 94.27 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.488 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.5 p -93.17 110.05 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.797 0.332 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 36.9 m-85 -101.84 106.2 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.7 -19.58 62.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -151.92 106.79 3.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 pt -77.56 173.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.485 HD21 HG13 ' A' ' 30' ' ' VAL . 6.9 mt -81.94 154.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -57.54 153.5 29.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.828 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -13.29 34.52 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.38 136.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 23.5 m-85 -114.75 161.08 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -140.22 131.35 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.661 ' HB ' HG12 ' A' ' 26' ' ' VAL . 3.9 p -146.14 154.25 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.39 146.29 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -43.6 149.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.469 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 41.54 35.83 1.43 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.52 -142.51 10.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.533 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -144.7 124.64 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.661 HG12 ' HB ' ' A' ' 20' ' ' VAL . 4.3 m -94.14 168.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 18' ' ' TYR . 34.5 ttt-85 -128.36 132.66 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' LEU . 48.2 m-85 -142.01 107.49 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 30' ' ' VAL . 4.2 p -132.6 153.25 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.485 HG13 HD21 ' A' ' 14' ' ' LEU . 16.5 m -141.68 161.84 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -111.7 139.41 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.631 HD11 HG11 ' A' ' 39' ' ' VAL . 18.3 mt -115.11 119.62 37.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.41 -24.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -153.19 143.75 15.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.595 0.712 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -25.24 28.67 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.655 2.236 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -57.17 -36.74 71.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.544 HD13 ' HB1' ' A' ' 9' ' ' ALA . 26.4 mt -64.81 144.57 57.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -93.36 163.56 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.631 HG11 HD11 ' A' ' 32' ' ' LEU . 29.1 m -134.11 140.71 45.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 57.5 mttm -141.43 124.15 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.587 ' HB3' HD12 ' A' ' 48' ' ' ILE . 70.2 m95 -95.1 133.48 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 94.1 m-85 -130.42 146.34 51.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -130.41 104.41 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.7 t30 66.91 43.18 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.82 35.52 73.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -150.72 116.98 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -46.54 152.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 41' ' ' TRP . 79.3 mt -106.33 131.72 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.73 143.0 25.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 118.49 5.71 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 t -152.44 -179.02 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.009 0.433 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 t -55.76 -17.75 6.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -89.18 -43.25 11.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CD1' HG12 ' A' ' 67' ' ' ILE . 77.5 m-85 -101.27 114.05 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.74 HG22 ' OE1' ' A' ' 57' ' ' GLU . 5.9 mm -97.66 105.24 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -93.07 119.08 31.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.74 ' OE1' HG22 ' A' ' 55' ' ' ILE . 8.3 mp0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.813 0.34 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -147.92 115.99 6.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.454 ' HG3' HG11 ' A' ' 39' ' ' VAL . 28.7 mmt180 -105.23 118.86 37.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.634 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 16.8 mt -104.7 152.39 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.9 tm? -146.27 128.86 16.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.837 ' N ' HD13 ' A' ' 65' ' ' LEU . 98.4 m-85 -122.5 138.84 54.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.575 ' CD1' ' CE2' ' A' ' 78' ' ' TYR . 83.8 mt -121.71 115.29 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -88.85 166.2 14.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 62.06 49.33 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.517 ' SG ' HG11 ' A' ' 20' ' ' VAL . 80.8 m -66.42 116.34 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.724 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.6 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.0 t -136.99 171.52 14.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -94.74 107.49 19.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.575 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 24.5 m-85 -88.2 140.18 29.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 33.8 p90 -144.13 128.49 17.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.88 152.61 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.0 p -125.2 135.86 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.563 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -148.42 108.59 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.91 -114.61 4.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -114.71 13.71 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -128.46 158.8 37.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -161.79 154.35 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -138.1 171.92 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.8 p -143.49 158.18 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 t -142.24 168.19 20.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -123.53 129.86 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.747 ' C ' HD13 ' A' ' 91' ' ' LEU . 1.3 tm? -98.14 125.79 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.493 ' N ' HD22 ' A' ' 91' ' ' LEU . 49.3 m-85 -112.58 96.27 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.724 HG11 ' O ' ' A' ' 71' ' ' GLN . 6.8 p -97.85 117.68 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.822 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.455 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 28.3 m-85 -106.1 118.52 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.69 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -78.27 -24.97 46.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -159.99 106.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 pt -74.49 168.19 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD12 ' H ' ' A' ' 14' ' ' LEU . 4.7 mp -74.69 170.53 15.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.524 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.7 m-20 -70.19 160.01 82.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -13.21 34.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.43 141.44 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 11.6 m-85 -116.27 165.42 13.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -146.49 124.51 12.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.577 HG22 ' H ' ' A' ' 21' ' ' ASP . 7.4 p -140.56 168.72 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.577 ' H ' HG22 ' A' ' 20' ' ' VAL . 4.4 p-10 -89.98 144.65 25.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -42.84 152.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.23 25.45 0.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -96.36 -144.49 17.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 ttp85 -143.87 128.96 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.735 HG11 HD21 ' A' ' 91' ' ' LEU . 31.5 m -100.42 166.71 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 21.0 ttp-105 -125.28 129.16 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 65' ' ' LEU . 37.1 m-85 -138.51 107.45 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.434 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 3.8 p -133.29 148.34 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.455 ' CG1' ' CD1' ' A' ' 14' ' ' LEU . 16.3 m -141.19 152.01 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 25.4 tt0 -98.86 157.06 16.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD21 ' CG1' ' A' ' 39' ' ' VAL . 2.8 mt -130.53 122.97 28.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.97 -29.86 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -151.73 148.38 21.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.0 32.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -59.26 -41.94 90.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.7 154.35 11.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -111.04 147.27 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 63' ' ' ARG . 32.7 m -112.61 149.03 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -148.49 123.69 10.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.587 ' HB3' HD12 ' A' ' 48' ' ' ILE . 62.8 m95 -96.22 138.63 33.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.498 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 98.4 m-85 -135.66 149.39 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -132.62 101.1 5.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 71.62 37.09 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.81 34.96 46.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -144.49 135.24 24.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 28.3 tt0 -62.03 137.08 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 41' ' ' TRP . 68.7 mt -96.85 129.63 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -99.69 143.21 26.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 125.88 12.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 t -160.78 171.58 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 p -39.9 -29.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -79.7 -47.26 15.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.506 ' CD1' HG12 ' A' ' 67' ' ' ILE . 95.0 m-85 -101.49 118.22 36.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -105.21 115.96 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -100.58 124.21 45.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.434 ' HG2' ' CG2' ' A' ' 29' ' ' VAL . 7.9 tt0 -150.49 112.82 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.673 ' HG3' HG21 ' A' ' 39' ' ' VAL . 10.8 mmt180 -101.61 107.3 18.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 65' ' ' LEU . 18.9 mt -95.18 154.58 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.4 tm? -148.25 126.47 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.836 ' N ' HD13 ' A' ' 65' ' ' LEU . 77.2 m-85 -119.15 132.26 55.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 54' ' ' TYR . 59.9 mt -118.61 108.5 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -86.07 167.32 15.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 63.3 44.8 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.706 ' O ' HG21 ' A' ' 93' ' ' VAL . 73.5 m -67.79 99.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.504 ' O ' HG11 ' A' ' 93' ' ' VAL . 5.0 tp-100 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.81 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.7 p-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -136.63 170.39 16.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.9 125.36 34.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -107.94 141.99 38.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 23.1 p90 -141.45 134.81 29.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 7.2 p -112.56 147.97 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.6 p -119.64 140.09 51.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.78 110.29 4.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.5 -110.09 3.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -115.35 14.38 16.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.822 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 7.7 mm-40 -124.55 157.29 35.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -160.96 141.53 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.8 p -129.82 172.51 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.2 p -148.3 154.75 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -139.67 161.98 36.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -113.01 127.13 56.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 75' ' ' ASP . 3.4 tm? -96.79 131.96 42.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.495 ' N ' HD13 ' A' ' 91' ' ' LEU . 51.3 m-85 -128.53 94.14 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.76 HG12 ' HB3' ' A' ' 75' ' ' ASP . 3.8 p -97.9 112.24 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.783 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.615 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 40.6 m-85 -96.86 118.18 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . . . -74.77 -30.85 61.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -149.31 111.66 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 pt -78.55 172.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HG ' HG12 ' A' ' 30' ' ' VAL . 3.8 mp -84.35 167.31 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.535 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 69.0 m-20 -65.01 151.24 93.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.532 0.682 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -9.69 26.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.1 129.72 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 18.6 m-85 -107.5 165.11 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.424 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 32.3 mt-30 -147.1 124.12 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.539 HG22 ' H ' ' A' ' 21' ' ' ASP . 3.3 p -144.93 168.71 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.539 ' H ' HG22 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -91.79 147.69 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 3.5 ttmp? -47.67 158.96 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 38.49 33.47 0.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.446 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.56 -144.56 11.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -145.38 125.67 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.859 HG11 HD21 ' A' ' 91' ' ' LEU . 12.9 m -96.22 166.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 33.6 ttm180 -126.09 123.53 38.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 65' ' ' LEU . 43.2 m-85 -131.61 107.48 8.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -129.67 141.89 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG12 ' HG ' ' A' ' 14' ' ' LEU . 28.5 m -134.05 171.46 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 11' ' ' ALA . 27.1 tt0 -126.93 156.06 42.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 mt -129.94 133.03 46.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -27.8 65.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -152.09 145.12 17.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -10.08 27.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 5.5 pttt -68.81 -29.12 67.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.783 HD13 ' HB1' ' A' ' 9' ' ' ALA . 47.3 mt -78.71 143.61 36.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 178.4 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG11 ' HG3' ' A' ' 63' ' ' ARG . 26.2 m -143.65 140.91 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -141.39 123.52 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -96.69 133.1 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.53 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.1 m-85 -129.74 148.74 51.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HB2' HD11 ' A' ' 48' ' ' ILE . 63.1 tttt -128.53 99.04 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 72.55 39.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.87 33.76 59.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -141.89 137.22 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.42 129.95 41.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.462 HD11 ' HB2' ' A' ' 43' ' ' LYS . 69.5 mt -90.22 139.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -105.88 142.39 24.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 120.43 7.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.274 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.2 p -158.96 170.9 21.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -38.96 -38.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -68.38 -48.87 63.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CD1' HG12 ' A' ' 67' ' ' ILE . 97.2 m-85 -100.51 116.22 31.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.19 105.05 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -92.15 114.09 26.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 64' ' ' ILE . 51.2 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -133.39 138.69 46.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.438 ' HG3' HG11 ' A' ' 39' ' ' VAL . 22.4 mmt-85 -126.77 120.0 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.9 mp -108.42 156.07 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.751 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.5 tm? -149.19 129.33 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.751 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.3 m-85 -124.14 129.43 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.5 HG12 ' CD1' ' A' ' 54' ' ' TYR . 62.7 mt -112.55 113.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -87.39 154.41 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 72.08 43.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.45 ' SG ' HG13 ' A' ' 26' ' ' VAL . 73.6 m -68.42 103.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.858 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.52 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.828 0.347 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 m -131.48 162.14 30.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -79.73 106.78 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -91.31 146.06 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.0 p90 -153.89 132.65 12.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.97 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.0 p -110.32 149.21 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.5 p -121.32 136.89 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.615 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -146.03 108.17 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.046 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.23 -106.4 1.83 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -118.94 8.58 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -123.28 158.88 29.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -165.66 146.65 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.9 t -129.17 172.55 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 p -142.86 150.82 40.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.2 t -135.99 156.29 48.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -110.72 127.93 55.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.859 HD21 HG11 ' A' ' 26' ' ' VAL . 2.5 tm? -97.02 124.73 41.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.671 ' N ' HD13 ' A' ' 91' ' ' LEU . 51.8 m-85 -116.92 94.24 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.5 p -89.09 116.24 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.329 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 44.4 m-85 -95.86 111.4 23.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.6 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.98 107.71 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.3 pt -79.6 168.74 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 14' ' ' LEU . 4.3 mp -76.66 171.74 14.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 13.2 m-20 -71.63 157.72 89.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.716 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.84 27.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.72 144.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.517 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 8.7 m-85 -123.15 161.24 24.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -149.28 129.18 13.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.654 HG11 HG13 ' A' ' 26' ' ' VAL . 10.0 p -145.57 169.58 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.61 ' H ' HG22 ' A' ' 20' ' ' VAL . 10.1 t70 -85.15 153.34 22.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 13.1 ttpp -51.65 153.8 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 39.43 26.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -94.43 -147.17 21.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -144.52 122.16 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.727 HG11 HD21 ' A' ' 91' ' ' LEU . 12.9 m -95.04 168.85 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 54.8 ttp180 -128.7 124.99 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LEU . 38.1 m-85 -131.45 107.93 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 p -125.84 143.5 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.72 165.9 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -124.49 151.6 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD11 ' CG1' ' A' ' 39' ' ' VAL . 4.3 mt -131.43 123.6 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.76 -29.42 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -147.91 141.74 15.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -28.85 24.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -48.44 -35.05 12.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.51 HD13 ' HB1' ' A' ' 9' ' ' ALA . 22.7 mt -68.13 155.14 40.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -103.15 154.35 19.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.668 ' CG1' HD11 ' A' ' 32' ' ' LEU . 27.7 m -120.57 140.39 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 86.5 mttt -142.24 124.14 15.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.462 ' CH2' ' HB3' ' A' ' 28' ' ' PHE . 70.2 m95 -96.7 136.95 36.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 60.2 m-85 -131.6 149.51 52.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HB2' HD11 ' A' ' 48' ' ' ILE . 32.5 tttt -131.72 104.95 7.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.1 t30 63.18 45.83 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.39 34.93 86.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -143.41 123.86 13.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.97 130.48 47.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' A' ' 43' ' ' LYS . 80.7 mt -87.71 131.87 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -97.63 142.17 24.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 123.31 9.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -160.14 173.14 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.2 p -45.49 -31.67 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -73.95 -45.97 47.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -101.67 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.12 105.3 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -94.07 115.56 27.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 64' ' ' ILE . 30.2 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.741 0.305 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' NE2' HD11 ' A' ' 64' ' ' ILE . 6.5 tt0 -149.33 133.58 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.651 ' HG3' HG21 ' A' ' 39' ' ' VAL . 18.7 mmt180 -125.11 114.68 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.7 mp -98.76 153.83 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.768 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.4 tm? -146.72 127.61 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.689 ' N ' HD13 ' A' ' 65' ' ' LEU . 89.1 m-85 -119.62 134.31 55.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.43 HG13 ' CD1' ' A' ' 65' ' ' LEU . 52.8 mt -118.41 109.38 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -81.95 158.9 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 62.13 52.23 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.723 ' O ' HG21 ' A' ' 93' ' ' VAL . 73.0 m -71.23 102.78 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.882 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.687 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.763 0.316 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 34.5 m -136.71 172.96 12.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.19 129.37 34.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 76' ' ' SER . 51.4 m-85 -111.99 152.35 28.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 41.8 p90 -157.42 129.11 6.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.407 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 10.1 p -110.6 144.28 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.0 p -115.52 144.22 44.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.659 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -153.42 108.95 3.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.92 -112.07 4.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.09 17.46 16.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -137.35 159.51 41.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -161.84 153.27 18.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.38 166.02 22.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.2 p -137.76 147.56 44.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -133.17 173.09 11.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -125.32 141.02 52.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.727 HD21 HG11 ' A' ' 26' ' ' VAL . 3.2 tm? -113.3 131.83 55.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.473 ' N ' HD13 ' A' ' 91' ' ' LEU . 50.3 m-85 -125.59 92.67 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.723 HG21 ' O ' ' A' ' 70' ' ' CYS . 2.4 p -95.19 118.46 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.803 0.335 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 32.2 m-85 -108.37 110.63 22.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.788 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -67.98 -30.68 70.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -144.3 107.55 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 pt -79.48 159.95 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.52 HD21 HG13 ' A' ' 30' ' ' VAL . 5.6 mt -72.72 139.2 47.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.529 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.1 m-20 -44.22 157.73 0.29 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 110.812 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.73 36.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.05 147.68 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.529 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 19.3 m-85 -124.2 165.36 17.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -148.01 126.31 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.541 ' HB ' HG12 ' A' ' 26' ' ' VAL . 8.3 p -141.47 161.88 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' N ' HG22 ' A' ' 20' ' ' VAL . 1.7 p30 -83.27 148.04 27.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 30.7 tttm -42.17 154.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 35.39 35.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -102.52 -145.25 15.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -144.92 122.98 12.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.979 HG11 HD21 ' A' ' 91' ' ' LEU . 35.8 m -92.51 167.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 60.3 ttp180 -126.13 129.52 49.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LEU . 60.7 m-85 -140.2 107.5 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 5.8 p -133.86 147.66 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.52 HG13 HD21 ' A' ' 14' ' ' LEU . 30.0 m -143.03 148.85 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.788 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 1.1 mp0 -100.93 155.93 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -126.87 126.23 42.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.07 -26.85 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -149.66 143.72 17.06 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.633 0.73 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.94 35.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.615 2.21 . . . . 0.0 112.359 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.87 -32.84 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.621 HD13 ' HB1' ' A' ' 9' ' ' ALA . 65.8 mt -69.03 134.21 49.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -85.47 167.93 15.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.553 HG21 ' HG3' ' A' ' 63' ' ' ARG . 17.4 m -136.02 139.93 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -143.69 123.86 13.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.596 ' HB3' HD12 ' A' ' 48' ' ' ILE . 54.7 m95 -93.41 141.79 28.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.546 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 98.0 m-85 -139.93 149.83 43.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -125.36 102.8 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 61.2 32.12 19.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.16 25.86 30.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -126.59 129.54 48.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -66.48 113.54 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 41' ' ' TRP . 61.9 mt -74.87 149.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.29 147.33 49.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.704 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 115.34 4.04 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.3 m -149.23 167.44 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 p -44.21 -31.97 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -74.65 -38.92 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -105.87 114.39 28.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mm -93.41 103.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -92.95 115.01 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.4 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HG2' ' CG2' ' A' ' 29' ' ' VAL . 6.8 tt0 -145.38 130.8 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HG3' HG21 ' A' ' 39' ' ' VAL . 79.4 mmt-85 -113.04 114.04 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.4 mt -99.21 155.22 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.755 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.4 tm? -151.2 129.14 11.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.755 ' N ' HD13 ' A' ' 65' ' ' LEU . 96.7 m-85 -121.97 137.71 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.527 ' HB ' HG22 ' A' ' 26' ' ' VAL . 46.0 mt -118.54 108.33 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -84.42 163.4 19.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 62.79 46.7 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.714 ' SG ' HG13 ' A' ' 26' ' ' VAL . 73.3 m -65.02 100.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.427 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -132.17 161.21 33.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.65 108.6 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -93.0 136.65 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 42' ' ' TYR . 13.9 p90 -144.52 134.42 23.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 p -113.68 150.25 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 p -121.43 137.54 54.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.581 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -148.54 111.88 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.461 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . 70.58 -113.06 4.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -115.95 16.81 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.835 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 20.2 mm-40 -131.57 159.74 37.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -165.86 148.98 7.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.68 174.53 10.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -143.12 168.01 20.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -146.93 165.74 28.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -116.34 126.54 53.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.979 HD21 HG11 ' A' ' 26' ' ' VAL . 1.9 tm? -96.76 126.3 41.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.797 ' N ' HD13 ' A' ' 91' ' ' LEU . 56.6 m-85 -117.83 99.36 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 75' ' ' ASP . 2.3 p -96.2 116.65 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.732 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.833 0.349 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -99.14 119.18 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.07 -33.14 57.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.28 109.75 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -78.27 171.82 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD11 HG11 ' A' ' 30' ' ' VAL . 3.8 mp -80.61 170.81 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.07 159.75 78.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.729 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.7 26.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.746 2.298 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.95 149.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -124.48 163.96 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -150.21 127.52 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG22 ' N ' ' A' ' 21' ' ' ASP . 8.0 p -138.73 163.22 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.514 ' N ' HG22 ' A' ' 20' ' ' VAL . 4.5 p-10 -81.94 141.23 33.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 55.7 tttt -37.25 148.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 39.76 30.67 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.68 -143.69 15.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -144.77 125.17 13.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.054 HG11 HD21 ' A' ' 91' ' ' LEU . 35.0 m -92.94 168.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.42 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 72.9 ttp85 -129.05 130.92 47.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -139.22 109.89 6.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -128.06 132.27 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG11 HD11 ' A' ' 14' ' ' LEU . 33.8 m -131.04 152.11 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -108.74 159.07 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.73 HD21 ' CG1' ' A' ' 39' ' ' VAL . 3.6 mt -131.07 124.73 31.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.61 -30.16 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 3.2 t70 -145.2 140.93 16.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.76 -17.91 37.31 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -63.44 -40.07 96.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.732 HD13 ' HB1' ' A' ' 9' ' ' ALA . 83.8 mt -63.73 155.66 29.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -111.11 153.28 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.73 ' CG1' HD21 ' A' ' 32' ' ' LEU . 35.5 m -115.9 146.45 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -141.2 123.56 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -96.75 134.48 39.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 95.9 m-85 -132.08 151.21 51.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -132.69 108.45 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 61.62 42.17 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.67 36.07 67.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -141.53 135.64 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.18 128.8 37.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.2 mt -88.21 134.46 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -103.91 145.2 30.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.16 4.44 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 54' ' ' TYR . 2.5 t -152.85 162.21 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' SER . 53.2 p -35.4 -32.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' SER . 76.5 tttt -72.73 -47.17 49.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.503 ' CD1' HG12 ' A' ' 67' ' ' ILE . 99.3 m-85 -101.99 116.58 32.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mm -98.13 102.64 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.152 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -91.49 116.3 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.781 0.325 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -143.48 124.93 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.723 ' HG3' HG21 ' A' ' 39' ' ' VAL . 4.6 mmm180 -116.63 119.19 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 64' ' ' ILE . 3.9 mp -106.85 157.6 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.698 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.9 tm? -148.53 128.67 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.682 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.7 m-85 -122.37 131.84 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.503 HG12 ' CD1' ' A' ' 54' ' ' TYR . 65.9 mt -113.53 115.97 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -87.32 162.45 17.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m120 57.3 54.22 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.653 ' O ' HG21 ' A' ' 93' ' ' VAL . 59.7 m -70.24 99.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.588 ' O ' HG11 ' A' ' 93' ' ' VAL . 4.7 tp-100 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 84.7 p -135.94 172.11 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -92.2 106.81 18.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.68 145.77 24.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 38.3 p90 -147.91 134.99 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.24 139.57 37.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.588 HG22 ' HB2' ' A' ' 86' ' ' LYS . 25.8 p -118.08 141.31 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.5 111.46 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.443 ' CA ' HD22 ' A' ' 37' ' ' LEU . . . 76.41 -108.21 2.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.72 8.89 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -127.75 156.77 41.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.588 ' HB2' HG22 ' A' ' 81' ' ' THR . 16.4 pttm -155.86 151.83 27.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.0 t -129.81 172.94 11.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.4 p -145.77 153.06 40.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -142.88 162.45 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' OE1' ' CE2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -110.84 141.61 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.054 HD21 HG11 ' A' ' 26' ' ' VAL . 1.9 tm? -115.6 122.98 47.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.722 ' N ' HD13 ' A' ' 91' ' ' LEU . 49.9 m-85 -113.85 96.9 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.653 HG21 ' O ' ' A' ' 70' ' ' CYS . 5.4 p -98.23 114.01 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.364 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 52.0 m-85 -91.14 115.59 28.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -77.14 -24.7 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -147.74 107.95 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 pt -80.69 162.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.596 HD21 HG13 ' A' ' 30' ' ' VAL . 5.8 mt -71.4 153.22 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.574 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -53.9 155.13 6.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.613 0.72 . . . . 0.0 110.878 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -11.45 30.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.9 131.33 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 36.7 m-85 -109.62 163.38 13.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 49.8 mt-30 -148.53 124.01 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.477 HG11 HG13 ' A' ' 26' ' ' VAL . 9.8 p -141.59 160.55 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' N ' HG22 ' A' ' 20' ' ' VAL . 6.1 m-20 -76.53 151.19 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 12.5 ttmm -50.9 155.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 39.58 34.66 0.46 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.47 -146.66 14.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -145.08 126.28 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.857 HG11 HD21 ' A' ' 91' ' ' LEU . 20.9 m -94.59 162.47 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.482 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 55.6 ttp180 -129.9 108.04 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -107.16 115.93 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.425 HG13 ' HG2' ' A' ' 62' ' ' GLN . 96.8 t -116.75 140.12 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 14' ' ' LEU . 6.6 m -142.41 144.16 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 11.7 tt0 -108.06 153.38 23.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 HG11 ' A' ' 39' ' ' VAL . 8.6 mt -128.32 118.7 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -38.56 -33.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -151.61 144.08 16.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -13.57 34.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.3 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -61.13 -39.62 90.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.784 HD13 ' HB1' ' A' ' 9' ' ' ALA . 52.2 mt -69.79 163.96 24.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -109.46 173.43 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.729 HG21 ' HG3' ' A' ' 63' ' ' ARG . 32.6 m -137.7 152.35 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -153.08 123.78 7.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.401 ' HB3' HD12 ' A' ' 48' ' ' ILE . 42.1 m95 -95.02 132.54 39.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.55 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 89.9 m-85 -127.01 147.37 50.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -133.69 100.35 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 73.15 39.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.5 37.09 68.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -145.98 139.55 26.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.708 0.29 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.22 131.32 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.539 HG23 ' CE2' ' A' ' 54' ' ' TYR . 71.2 mt -88.23 130.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -98.32 143.94 27.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 121.13 7.83 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -159.19 173.55 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.0 m -42.46 -26.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -82.49 -47.24 12.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.539 ' CE2' HG23 ' A' ' 48' ' ' ILE . 78.2 m-85 -101.24 117.62 35.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mm -108.34 113.82 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -96.01 125.06 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' HG2' HG13 ' A' ' 29' ' ' VAL . 10.5 tt0 -152.23 110.29 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.729 ' HG3' HG21 ' A' ' 39' ' ' VAL . 21.0 mmt180 -93.88 120.14 33.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.555 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 8.4 mt -108.38 135.76 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.1 tm? -131.18 127.37 37.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.781 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.7 m-85 -118.46 131.52 56.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 65' ' ' LEU . 87.1 mt -114.82 104.17 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -79.06 156.01 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.1 t30 67.52 50.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' GLY . 84.1 m -72.93 104.84 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.445 ' NE2' ' HG2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.527 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.804 0.335 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.1 t -133.41 165.18 25.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -80.29 107.6 13.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -93.69 140.86 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.55 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 32.4 p90 -146.04 131.56 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 81' ' ' THR . 7.7 p -110.79 152.68 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.573 HG22 ' HB2' ' A' ' 86' ' ' LYS . 51.7 p -128.97 142.78 50.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -155.49 117.21 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.48 -113.09 4.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -118.48 19.05 13.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -132.12 166.62 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.573 ' HB2' HG22 ' A' ' 81' ' ' THR . 14.8 ptmt -164.5 153.41 13.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.7 t -139.58 169.47 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.5 p -143.49 160.05 41.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 t -148.36 167.0 26.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -117.46 133.43 55.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.857 HD21 HG11 ' A' ' 26' ' ' VAL . 2.0 tm? -102.81 126.82 50.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.789 ' N ' HD13 ' A' ' 91' ' ' LEU . 64.6 m-85 -118.92 98.57 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.3 p -93.53 114.46 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.589 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.805 0.336 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 37.6 m-85 -104.12 108.77 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.66 -24.03 62.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -148.63 108.46 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.1 pt -82.34 167.5 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 30' ' ' VAL . 6.6 mt -78.76 152.26 31.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.7 m-20 -55.19 151.31 18.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.89 128.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 22.6 m-85 -107.94 165.58 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -149.29 123.63 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG22 ' H ' ' A' ' 21' ' ' ASP . 4.8 p -140.71 165.77 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.486 ' H ' HG22 ' A' ' 20' ' ' VAL . 4.1 p-10 -86.15 146.61 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.7 tttt -44.04 157.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 36.6 31.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -102.91 -148.36 20.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 15.7 ttp-105 -141.43 128.17 20.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.851 HG11 HD21 ' A' ' 91' ' ' LEU . 31.5 m -96.15 168.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 20.7 ttp-105 -126.53 126.11 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' LEU . 37.7 m-85 -136.22 107.99 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 p -125.95 136.15 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.76 HG11 HG11 ' A' ' 80' ' ' VAL . 13.3 m -127.08 137.13 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -102.63 138.84 39.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.558 HD21 HG12 ' A' ' 39' ' ' VAL . 4.8 mt -114.99 135.27 54.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.06 -23.84 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -156.41 142.27 12.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -16.13 37.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -57.0 -34.56 68.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD13 ' HB1' ' A' ' 9' ' ' ALA . 33.1 mt -78.26 153.42 31.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -105.6 147.0 28.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.758 HG21 ' HG3' ' A' ' 63' ' ' ARG . 27.9 m -106.89 148.2 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 18.7 mtmt -147.11 123.99 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.428 ' HB3' HD12 ' A' ' 48' ' ' ILE . 74.2 m95 -96.35 143.97 26.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.554 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.7 m-85 -142.38 146.29 34.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -130.05 102.39 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.8 t30 69.46 41.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.74 35.05 73.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -142.31 136.3 29.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -66.81 132.05 47.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 41' ' ' TRP . 95.8 mt -87.42 140.29 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -110.33 142.05 25.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 117.99 5.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -149.42 178.66 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 t -55.28 -17.27 4.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -90.25 -34.42 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -105.76 122.01 45.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mm -106.04 106.49 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -98.86 121.23 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.744 0.307 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -150.19 129.96 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.758 ' HG3' HG21 ' A' ' 39' ' ' VAL . 12.0 mmm180 -120.25 111.08 17.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.8 mp -101.34 155.53 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.6 tm? -146.64 128.34 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 98.4 m-85 -124.05 119.35 29.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.7 mt -101.97 118.62 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -92.49 167.0 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 61.24 41.06 13.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 93.3 m -65.04 100.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.405 ' NE2' ' HE2' ' A' ' 22' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.736 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.798 0.333 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.7 t -134.36 172.82 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.38 135.93 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -123.33 154.48 38.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 32.9 p90 -159.28 135.21 8.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.76 HG11 HG11 ' A' ' 30' ' ' VAL . 11.0 p -114.52 140.48 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 86' ' ' LYS . 43.8 p -115.6 144.66 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.614 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -156.19 106.89 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.57 -118.66 5.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.27 19.22 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -134.93 162.26 32.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' HB2' HG22 ' A' ' 81' ' ' THR . 32.7 pttt -165.78 151.25 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.76 166.91 20.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 p -136.94 146.97 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.4 t -139.97 157.51 45.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.41 137.85 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.851 HD21 HG11 ' A' ' 26' ' ' VAL . 2.9 tm? -105.01 126.9 52.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.655 ' N ' HD13 ' A' ' 91' ' ' LEU . 59.6 m-85 -117.92 96.23 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.736 HG12 ' HB2' ' A' ' 75' ' ' ASP . 2.7 p -98.95 113.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 11.9 mtp-105 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.86 0.362 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 31.3 m-85 -103.25 102.48 12.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.04 68.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' N ' ' HB3' ' A' ' 31' ' ' GLU . 39.1 tptt -148.23 111.19 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 pt -84.84 172.04 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.7 178.64 8.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.1 m-20 -80.36 158.41 71.68 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.63 0.729 . . . . 0.0 110.88 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -14.0 35.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.52 133.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 18.4 m-85 -107.96 166.52 10.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -148.07 125.24 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.473 ' HB ' HG12 ' A' ' 26' ' ' VAL . 7.0 p -142.07 164.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' N ' HG22 ' A' ' 20' ' ' VAL . 61.5 m-20 -87.87 145.82 25.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 12.6 ttmm -42.02 154.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.42 36.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.99 -143.51 12.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -145.11 122.85 11.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.667 HG11 HD21 ' A' ' 91' ' ' LEU . 24.0 m -94.56 163.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -122.65 125.52 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -135.43 107.39 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -127.36 152.47 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 80' ' ' VAL . 16.3 m -142.9 165.91 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HB3' ' N ' ' A' ' 12' ' ' LYS . 26.8 tt0 -125.32 153.49 43.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mt -131.28 128.82 40.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.47 -25.35 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -154.88 142.2 13.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.718 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.05 37.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.317 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -55.46 -40.74 71.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.29 157.81 37.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -105.28 168.13 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.0 m -128.18 148.81 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -150.06 123.43 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.5 ' HB3' HD12 ' A' ' 48' ' ' ILE . 65.8 m95 -95.55 132.61 40.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.576 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 96.3 m-85 -128.56 141.82 51.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.001 0.429 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -124.77 102.03 7.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 70.03 37.91 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.75 35.21 55.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -144.69 132.51 21.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -62.03 134.81 57.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 41' ' ' TRP . 77.3 mt -91.5 137.92 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -100.09 136.84 20.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 122.53 9.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 t -159.96 174.85 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -42.83 -35.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -70.51 -46.46 63.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -101.13 113.87 27.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mm -98.07 106.99 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -96.75 119.12 34.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' O ' HD12 ' A' ' 64' ' ' ILE . 65.7 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -148.31 111.75 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -103.73 125.01 49.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 57' ' ' GLU . 3.4 mp -108.95 147.14 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.8 tm? -137.09 126.92 25.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.447 ' N ' HD13 ' A' ' 65' ' ' LEU . 73.3 m-85 -120.38 127.71 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.5 mt -114.08 113.62 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -88.64 157.92 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 67.55 48.77 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.507 ' SG ' HG13 ' A' ' 26' ' ' VAL . 81.7 m -70.17 97.63 1.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.408 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -134.72 168.53 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -84.75 125.74 32.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -113.25 143.82 43.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.5 p90 -151.27 127.15 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 30' ' ' VAL . 11.3 p -106.24 143.54 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.7 p -116.45 135.78 53.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -145.12 106.71 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.36 -113.18 4.16 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.26 18.52 16.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -137.8 157.38 46.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -163.53 157.41 19.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.0 177.81 7.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -144.32 164.83 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -150.78 168.38 24.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -121.9 130.69 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.667 HD21 HG11 ' A' ' 26' ' ' VAL . 3.4 tm? -100.05 130.77 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.55 ' N ' HD13 ' A' ' 91' ' ' LEU . 47.7 m-85 -122.97 93.36 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.461 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.6 p -92.58 115.18 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.615 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 17.1 m-85 -102.15 105.82 16.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.714 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -63.06 -33.05 74.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -146.53 127.22 14.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 pt -93.99 152.6 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.644 HD12 ' H ' ' A' ' 14' ' ' LEU . 2.7 mp -64.47 156.26 30.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 2.4 m-20 -55.27 152.36 15.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.836 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.94 24.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.78 130.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 19.5 m-85 -111.36 167.0 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -148.55 123.62 10.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.524 ' HB ' HG12 ' A' ' 26' ' ' VAL . 5.1 p -140.14 162.9 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 20' ' ' VAL . 75.5 m-20 -82.71 150.47 26.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 24' ' ' GLY . 30.5 tttp -47.59 156.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.11 32.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -101.12 -144.53 15.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -144.73 124.91 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 HD21 ' A' ' 91' ' ' LEU . 15.8 m -94.32 168.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.484 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 41.7 ttp180 -131.31 128.54 39.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -135.65 109.45 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -123.88 141.63 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.437 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 34.3 m -143.31 150.34 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.714 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 9.7 mp0 -100.8 152.13 20.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' A' ' 39' ' ' VAL . 7.5 mt -124.25 115.51 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.94 -28.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 68.4 m-20 -153.53 145.89 17.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.0 29.3 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -59.16 -40.24 84.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.615 HD13 ' HB1' ' A' ' 9' ' ' ALA . 94.4 mt -60.68 145.75 48.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -95.51 161.26 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.565 ' CG1' HD21 ' A' ' 32' ' ' LEU . 20.4 m -129.81 140.04 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 17.9 mmtp -140.75 127.97 20.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.419 ' HB3' HD12 ' A' ' 48' ' ' ILE . 52.2 m95 -100.37 133.26 45.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 47' ' ' GLU . 90.4 m-85 -129.66 152.47 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 43.4 tttt -133.16 100.78 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.3 t30 66.04 45.1 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.96 34.63 71.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -140.25 120.29 13.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 42' ' ' TYR . 20.6 tt0 -56.93 134.53 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 41' ' ' TRP . 57.4 mt -96.1 134.92 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -106.67 144.21 28.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 122.19 8.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -157.43 -177.51 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 t -51.89 -21.64 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 54' ' ' TYR . 19.6 ttpt -87.3 -46.47 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.52 ' CD1' HG12 ' A' ' 67' ' ' ILE . 94.4 m-85 -100.63 118.66 37.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mm -101.53 106.1 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -93.23 115.73 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -147.12 108.11 4.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.499 ' HG3' HG21 ' A' ' 39' ' ' VAL . 23.9 mmt180 -102.97 114.62 29.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.48 HG21 ' CE2' ' A' ' 66' ' ' PHE . 3.7 mp -101.22 153.83 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.832 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.3 tm? -144.17 126.57 15.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.832 ' N ' HD13 ' A' ' 65' ' ' LEU . 96.5 m-85 -121.27 134.8 55.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CD1' ' A' ' 54' ' ' TYR . 50.9 mt -117.84 118.4 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -90.78 160.96 15.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 62.3 51.83 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' GLY . 71.9 m -69.8 101.04 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.603 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -136.4 173.5 11.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.56 107.27 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 43' ' ' LYS . 36.6 m-85 -97.2 151.86 19.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.2 p90 -157.95 134.99 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.594 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 10.8 p -108.68 147.33 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.104 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.6 p -122.18 136.2 54.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.95 109.47 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.57 -110.73 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -119.31 20.66 12.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 5.8 mm-40 -132.85 161.85 33.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -162.37 146.61 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.437 ' SG ' HD12 ' A' ' 14' ' ' LEU . 7.2 p -131.08 158.03 41.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.5 p -132.92 155.3 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.1 t -143.39 170.41 15.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -122.04 124.68 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 92' ' ' PHE . 3.4 tm? -97.76 134.26 41.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.633 ' N ' HD13 ' A' ' 91' ' ' LEU . 63.6 m-85 -124.69 95.45 4.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.603 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.4 p -91.85 114.48 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 45.7 m-85 -92.95 105.79 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.07 65.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -152.88 109.29 3.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.7 pp -82.43 158.57 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.3 mt -64.79 147.89 52.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.581 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.3 m-20 -49.45 161.1 0.51 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -15.18 36.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.45 134.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 29.1 m-85 -110.35 162.15 14.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.417 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 54.1 mt-30 -148.44 126.75 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.53 HG11 HG13 ' A' ' 26' ' ' VAL . 6.3 p -138.64 158.46 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -78.94 143.82 35.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 11.2 ttmt -43.81 152.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 42.23 34.01 1.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.31 -144.44 11.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.513 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 16.2 ttm105 -144.7 127.0 15.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.627 HG11 HD21 ' A' ' 91' ' ' LEU . 10.0 m -93.61 159.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -127.27 114.01 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -116.42 108.52 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.5 HG13 ' OE1' ' A' ' 62' ' ' GLN . 56.9 t -108.29 142.84 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 63' ' ' ARG . 20.5 m -142.99 135.88 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -99.53 160.66 14.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -138.71 129.67 26.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.15 -25.07 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -149.87 143.28 16.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.566 0.698 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -29.36 24.22 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -56.34 -29.0 60.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 13.5 mt -65.03 153.42 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -111.14 145.64 38.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG21 ' HG3' ' A' ' 63' ' ' ARG . 18.5 m -111.86 145.41 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -145.11 123.48 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.427 ' HB3' HD12 ' A' ' 48' ' ' ILE . 45.1 m95 -97.32 128.48 44.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.558 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.1 m-85 -126.08 150.83 47.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -129.76 102.38 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 m120 64.04 33.46 12.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.93 25.48 40.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -127.83 134.71 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.01 126.87 30.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' A' ' 41' ' ' TRP . 61.0 mt -90.13 134.9 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -107.77 143.61 27.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.688 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 118.95 5.99 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.334 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 54' ' ' TYR . 20.9 p -149.2 173.18 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.7 m -40.92 -31.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -79.41 -40.6 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' SER . 72.3 m-85 -102.09 113.98 27.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.5 mm -101.3 102.68 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -85.5 116.68 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.76 0.314 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.5 ' OE1' HG13 ' A' ' 29' ' ' VAL . 2.3 tt0 -146.78 142.95 28.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 30' ' ' VAL . 25.9 mmt180 -130.08 120.86 25.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -111.75 153.62 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.684 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.9 tm? -139.35 127.6 22.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.674 ' N ' HD13 ' A' ' 65' ' ' LEU . 94.2 m-85 -118.03 139.96 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.411 HG13 ' CD1' ' A' ' 65' ' ' LEU . 60.5 mt -127.57 100.43 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -74.32 158.4 34.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 65.63 50.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' GLY . 86.7 m -69.9 100.5 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' HG11 ' A' ' 93' ' ' VAL . 6.5 tp-100 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.738 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.464 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -136.37 170.85 15.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -82.23 132.17 35.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CE1' ' O ' ' A' ' 76' ' ' SER . 61.0 m-85 -123.05 143.13 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 20.2 p90 -148.45 125.97 11.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.475 HG12 ' SG ' ' A' ' 87' ' ' CYS . 11.9 p -104.99 145.6 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.6 p -121.32 136.36 54.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.598 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -147.21 110.46 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.96 -109.04 2.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -121.36 20.76 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.74 0.305 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -138.63 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 87' ' ' CYS . 0.2 OUTLIER -164.28 168.36 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 15.1 p -149.07 136.9 20.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.0 m -114.66 157.45 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -146.87 170.57 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -122.8 127.96 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 75' ' ' ASP . 3.2 tm? -97.24 136.31 37.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' N ' HD13 ' A' ' 91' ' ' LEU . 33.1 m-85 -128.66 93.47 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.738 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.6 p -92.67 108.51 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.777 0.322 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.473 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 23.8 m-85 -95.95 109.68 22.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -66.01 -31.36 72.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -149.54 107.73 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.5 pp -77.34 149.37 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.837 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.3 mp -48.75 145.31 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.446 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.2 m-20 -45.58 159.83 0.29 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -16.01 37.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.16 133.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 42.5 m-85 -107.61 157.74 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -143.12 126.06 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.505 HG11 HG13 ' A' ' 26' ' ' VAL . 5.5 p -143.13 161.55 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.158 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 20' ' ' VAL . 5.7 t0 -79.36 150.75 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' GLY . 18.3 ttpp -47.27 156.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 34.22 38.87 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.479 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.66 -146.95 13.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -141.96 127.85 19.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.728 HG11 HD21 ' A' ' 91' ' ' LEU . 5.4 m -96.66 168.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 70.9 ttp85 -136.81 108.1 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -107.66 112.54 25.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -112.26 142.57 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.478 HG11 HD11 ' A' ' 14' ' ' LEU . 27.2 m -145.73 135.7 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 34.0 mt-10 -101.85 145.97 28.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD21 HG12 ' A' ' 39' ' ' VAL . 4.2 mt -120.39 121.53 38.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.28 -35.36 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -143.66 143.89 25.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -25.99 28.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -54.05 -43.55 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD13 ' HB1' ' A' ' 9' ' ' ALA . 89.2 mt -62.91 145.91 54.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 39' ' ' VAL . 4.8 tp10 -96.61 157.25 15.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.804 HG21 ' HG3' ' A' ' 63' ' ' ARG . 28.4 m -121.1 141.23 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.494 ' O ' HG23 ' A' ' 80' ' ' VAL . 13.7 mtmm -137.93 126.88 24.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -99.5 135.8 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.577 ' CD1' ' HA ' ' A' ' 47' ' ' GLU . 94.7 m-85 -135.9 150.38 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -133.65 105.62 6.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 66.53 40.48 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' C ' ' HG3' ' A' ' 46' ' ' GLN . . . 68.67 38.35 85.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.405 ' HG3' ' C ' ' A' ' 45' ' ' GLY . 31.6 mt-30 -145.97 114.57 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 25.1 tt0 -48.16 141.87 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 54' ' ' TYR . 77.2 mt -101.48 138.3 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -104.13 143.3 26.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.03 4.37 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -156.81 174.46 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.8 m -40.84 -36.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -73.07 -47.02 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 48' ' ' ILE . 71.3 m-85 -103.02 114.0 27.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 mm -102.73 101.48 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -89.26 119.41 29.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -140.73 105.9 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.804 ' HG3' HG21 ' A' ' 39' ' ' VAL . 19.5 mmt180 -92.49 121.16 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.451 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 9.8 mt -106.74 141.34 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.85 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.4 tm? -131.88 126.36 34.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.85 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.4 m-85 -117.58 130.97 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.495 ' CD1' ' CE2' ' A' ' 78' ' ' TYR . 72.7 mt -117.1 110.64 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -86.52 152.97 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.7 t30 72.76 51.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 77.7 m -73.3 108.55 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.484 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.496 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.841 0.353 . . . . 0.0 110.852 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 m -136.99 171.41 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -91.18 107.31 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 35.0 m-85 -87.06 153.58 21.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 19.1 p90 -158.51 123.13 4.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 40' ' ' LYS . 14.8 p -103.52 148.79 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.4 p -122.66 131.92 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -133.79 98.84 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.78 -114.26 4.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -107.97 30.56 6.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -148.34 171.88 15.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -163.09 168.25 21.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 13' ' ' ILE . 2.3 m -128.0 -174.97 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 p -163.68 143.49 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.2 t -148.69 165.81 30.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -119.89 129.43 54.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.728 HD21 HG11 ' A' ' 26' ' ' VAL . 3.5 tm? -96.16 126.45 41.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.428 ' N ' HD13 ' A' ' 91' ' ' LEU . 41.3 m-85 -122.21 93.14 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.484 HG11 ' O ' ' A' ' 71' ' ' GLN . 2.5 p -94.6 116.33 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.767 0.318 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 17.7 m-85 -97.85 114.6 26.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.871 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -69.42 -28.68 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -152.21 107.01 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 pt -73.61 150.73 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.585 HD22 ' HD2' ' A' ' 28' ' ' PHE . 9.1 mt -54.56 145.29 19.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -50.5 156.88 1.38 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -13.55 34.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.06 137.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 7.7 m-85 -108.74 164.27 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -147.35 119.1 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.513 ' HB ' HG12 ' A' ' 26' ' ' VAL . 6.1 p -143.76 158.6 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.75 150.61 34.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' GLY . 20.9 ttpt -47.0 153.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.36 34.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -99.45 -143.98 15.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -144.12 120.62 11.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.601 HG13 ' SG ' ' A' ' 70' ' ' CYS . 34.0 m -92.98 168.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.63 ' NH2' HG21 ' A' ' 29' ' ' VAL . 25.2 ttt-85 -139.3 108.02 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.585 ' HD2' HD22 ' A' ' 14' ' ' LEU . 5.1 m-85 -104.94 108.49 20.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.63 HG21 ' NH2' ' A' ' 27' ' ' ARG . 98.0 t -104.93 139.8 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 63' ' ' ARG . 26.8 m -144.05 141.6 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.871 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -107.87 153.58 22.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 HH11 ' A' ' 63' ' ' ARG . 6.3 mt -127.95 134.35 49.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.99 -31.38 60.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -153.97 143.71 15.29 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.655 0.741 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.47 16.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.73 2.287 . . . . 0.0 112.376 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.55 -33.2 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.62 162.2 29.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -106.4 169.76 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.0 HG21 ' HG2' ' A' ' 63' ' ' ARG . 16.6 m -139.89 139.54 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 43.2 mttt -144.3 124.02 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.436 ' C ' HD12 ' A' ' 48' ' ' ILE . 51.1 m95 -96.32 132.31 41.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.586 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 95.5 m-85 -127.87 149.33 50.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -132.08 105.96 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.9 m120 64.94 42.37 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.7 35.75 74.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -140.94 121.31 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 42' ' ' TYR . 49.2 tt0 -57.05 129.32 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.436 HD12 ' C ' ' A' ' 41' ' ' TRP . 23.8 mt -92.4 143.12 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.66 147.11 39.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 119.29 6.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.396 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' THR . 31.9 p -157.74 171.71 19.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' SER . 24.5 p -35.87 -38.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.157 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -74.91 -49.48 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -102.88 114.49 28.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mm -102.36 107.31 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -88.93 115.59 26.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.767 0.318 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.483 HE21 HD11 ' A' ' 64' ' ' ILE . 10.9 tt0 -147.11 109.14 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 1.0 ' HG2' HG21 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -97.57 105.93 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.483 HD11 HE21 ' A' ' 62' ' ' GLN . 3.6 mp -95.98 151.12 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.563 HD13 ' N ' ' A' ' 66' ' ' PHE . 3.1 tm? -138.35 127.69 24.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.563 ' N ' HD13 ' A' ' 65' ' ' LEU . 98.0 m-85 -115.8 125.41 52.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.437 ' HB ' HG22 ' A' ' 26' ' ' VAL . 25.3 mt -112.14 109.26 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -86.8 159.61 19.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 65.71 39.08 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.654 ' O ' HG21 ' A' ' 93' ' ' VAL . 92.1 m -61.75 99.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.603 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.5 m -136.72 173.17 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -89.95 107.02 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -89.28 147.51 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 34.8 p90 -148.85 128.92 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.56 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 8.2 p -107.74 145.64 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.516 HG22 ' CB ' ' A' ' 86' ' ' LYS . 67.1 p -121.12 132.86 55.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.506 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -134.8 99.67 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.28 -113.1 4.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.18 26.03 11.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -142.86 159.67 41.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.516 ' CB ' HG22 ' A' ' 81' ' ' THR . 8.0 pttp -166.16 151.04 8.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 18.8 p -131.14 172.53 12.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 m -138.74 157.63 45.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 t -150.41 164.08 36.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -114.44 134.92 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 75' ' ' ASP . 2.4 tm? -104.43 121.46 43.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.482 ' N ' HD22 ' A' ' 91' ' ' LEU . 56.7 m-85 -113.14 93.38 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.654 HG21 ' O ' ' A' ' 70' ' ' CYS . 2.7 p -95.11 111.94 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 44.6 m-85 -106.74 110.3 22.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.27 -26.87 47.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 108.73 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.3 pt -82.09 175.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.565 HD11 HG11 ' A' ' 30' ' ' VAL . 3.6 mp -85.85 155.17 21.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.11 153.8 6.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.72 21.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.284 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.04 128.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -107.45 161.06 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -144.13 128.52 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.544 ' HB ' HG12 ' A' ' 26' ' ' VAL . 4.3 p -144.11 165.14 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.465 ' H ' HG22 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -84.6 155.82 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -54.66 154.51 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.437 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 41.33 28.75 0.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.17 -145.96 17.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -145.96 128.83 16.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.605 HG13 ' SG ' ' A' ' 70' ' ' CYS . 20.3 m -94.56 168.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.489 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 27.5 ttm180 -133.46 121.65 22.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -122.58 107.99 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.811 HG13 ' OE1' ' A' ' 62' ' ' GLN . 45.7 t -108.02 140.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG11 HD11 ' A' ' 14' ' ' LEU . 25.3 m -148.27 136.63 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -102.93 162.54 12.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD21 ' CG1' ' A' ' 39' ' ' VAL . 5.7 mt -132.08 127.75 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.04 -20.35 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -158.56 144.44 12.35 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.35 24.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.262 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -58.2 -24.39 58.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -74.55 140.59 44.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -89.54 164.53 14.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.491 HG21 ' HG3' ' A' ' 63' ' ' ARG . 13.5 m -136.5 143.57 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 23.3 mmtp -144.73 125.3 14.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -96.37 135.11 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 93.7 m-85 -135.31 149.64 49.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -129.6 112.71 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 55.93 29.69 14.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.32 28.38 27.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.07 122.76 36.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 44.0 tt0 -63.3 115.43 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.6 mt -85.39 137.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 153.83 48.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 121.07 7.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.384 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' TYR . 3.9 m -160.18 169.46 23.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 74.6 m -37.92 -37.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -75.48 -43.32 49.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' SER . 57.6 m-85 -103.49 113.95 27.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mm -98.56 103.65 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -89.63 116.14 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.4 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.761 0.315 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.811 ' OE1' HG13 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -145.96 132.25 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.491 ' HG3' HG21 ' A' ' 39' ' ' VAL . 13.4 mmm180 -117.61 129.58 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.501 HD11 ' NE2' ' A' ' 62' ' ' GLN . 3.9 mp -111.32 150.36 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.569 HD13 ' N ' ' A' ' 66' ' ' PHE . 3.3 tm? -134.4 128.97 34.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' N ' HD13 ' A' ' 65' ' ' LEU . 78.1 m-85 -119.32 128.05 53.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 65' ' ' LEU . 50.4 mt -116.17 113.2 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -90.91 156.9 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 74.96 42.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.605 ' SG ' HG13 ' A' ' 26' ' ' VAL . 94.2 m -65.92 102.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.529 ' O ' HG11 ' A' ' 93' ' ' VAL . 6.0 tp-100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.634 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -137.13 170.49 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.25 132.6 34.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -115.05 144.03 44.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 28.4 p90 -153.13 123.02 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 p -101.75 145.18 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.9 p -117.72 143.23 46.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.534 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -155.87 113.77 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.26 -109.99 2.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -120.83 12.07 11.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -129.71 167.62 17.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -166.07 152.35 9.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 13.1 p -126.06 169.43 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 p -142.0 158.64 43.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 t -150.77 165.26 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -118.02 130.94 56.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 75' ' ' ASP . 3.2 tm? -97.12 129.69 44.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -122.77 96.56 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.529 HG11 ' O ' ' A' ' 71' ' ' GLN . 2.3 p -95.97 122.38 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 12.8 mtp-105 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.611 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 61.1 m-85 -94.72 125.24 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -84.9 -22.83 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -153.48 107.49 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.6 pt -79.18 166.71 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 30' ' ' VAL . 4.2 mp -80.22 155.05 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 61.8 m-20 -54.32 153.16 10.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.722 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -8.91 24.81 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.71 134.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 22.1 m-85 -111.83 165.87 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -147.13 125.46 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.572 HG11 HG13 ' A' ' 26' ' ' VAL . 4.7 p -145.05 161.49 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -82.49 156.87 23.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.2 ttmt -51.17 152.31 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 36.02 35.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -99.35 -141.48 12.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -143.5 124.8 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.89 HG11 HD21 ' A' ' 91' ' ' LEU . 6.8 m -99.62 164.64 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 25.7 ttm180 -129.33 128.27 42.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.476 ' HZ ' HD23 ' A' ' 91' ' ' LEU . 66.9 m-85 -136.18 107.6 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -123.43 152.53 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 14' ' ' LEU . 8.1 m -148.76 143.43 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 10.1 tt0 -99.29 160.01 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -134.36 132.88 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.57 -32.72 67.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -147.22 143.58 18.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.93 37.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -63.35 -34.54 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.627 HD13 ' HB1' ' A' ' 9' ' ' ALA . 79.1 mt -67.25 155.04 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.02 153.69 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.602 HG11 ' HG3' ' A' ' 63' ' ' ARG . 30.1 m -118.28 146.76 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 21.0 mmtp -149.21 123.5 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.46 ' HB3' HD12 ' A' ' 48' ' ' ILE . 63.1 m95 -96.3 128.15 42.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.582 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 98.6 m-85 -125.56 144.31 50.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -128.51 109.87 11.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.5 m120 62.93 35.26 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.87 36.83 40.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -144.86 141.04 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -68.83 136.72 53.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 41' ' ' TRP . 50.8 mt -96.15 131.08 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -104.36 143.89 27.59 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.9 12.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 t -155.05 178.59 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 t -49.69 -18.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 54' ' ' TYR . 28.5 ttpt -91.94 -41.78 10.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.677 ' C ' HD12 ' A' ' 55' ' ' ILE . 73.5 m-85 -100.87 113.92 27.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.677 HD12 ' C ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -106.26 101.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -87.54 132.42 34.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -138.83 143.83 39.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.602 ' HG3' HG11 ' A' ' 39' ' ' VAL . 82.0 mmt-85 -127.31 112.77 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.68 151.24 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.6 tm? -146.48 128.42 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.677 ' N ' HD13 ' A' ' 65' ' ' LEU . 86.9 m-85 -119.57 139.17 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 26' ' ' VAL . 31.6 mt -120.16 102.24 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -76.87 159.39 30.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 64.63 51.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.498 ' SG ' HG13 ' A' ' 26' ' ' VAL . 77.6 m -73.69 98.09 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.525 ' O ' HG11 ' A' ' 93' ' ' VAL . 12.4 tp-100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 m -136.52 171.97 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -87.42 130.85 34.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -119.61 142.9 47.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 27.2 p90 -150.55 130.6 13.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.4 p -110.8 144.92 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.8 p -114.13 145.14 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -158.8 107.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.44 -121.76 9.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -108.77 30.03 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.693 0.283 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -144.46 166.07 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -165.78 146.98 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.5 p -126.65 178.52 5.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.6 p -153.15 154.68 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 t -144.16 174.52 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -130.55 127.24 38.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.89 HD21 HG11 ' A' ' 26' ' ' VAL . 2.2 tm? -97.97 122.91 41.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.685 ' N ' HD13 ' A' ' 91' ' ' LEU . 38.3 m-85 -112.7 96.17 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.525 HG11 ' O ' ' A' ' 71' ' ' GLN . 2.1 p -93.19 122.18 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.612 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.844 0.354 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 48.4 m-85 -100.22 119.88 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -84.1 -22.12 31.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -152.3 106.91 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -78.42 152.56 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.492 HD21 HG13 ' A' ' 30' ' ' VAL . 6.4 mt -59.87 144.16 49.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.548 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.9 m-20 -46.13 160.44 0.3 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 110.824 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -19.4 36.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -175.01 137.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 28.9 m-85 -109.22 172.01 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -150.57 122.16 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.612 ' HB ' HG12 ' A' ' 26' ' ' VAL . 10.0 p -139.58 169.58 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.597 ' H ' HG22 ' A' ' 20' ' ' VAL . 3.0 p-10 -89.38 139.84 30.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 20.1 ttpt -39.22 159.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 36.41 36.59 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.51 -148.45 11.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -144.5 123.76 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.863 HG11 HD21 ' A' ' 91' ' ' LEU . 24.3 m -95.21 169.03 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.564 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 27.0 ttt85 -130.26 120.53 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.503 ' CE2' HD13 ' A' ' 67' ' ' ILE . 23.2 m-85 -122.33 107.42 12.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.49 146.18 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.492 HG13 HD21 ' A' ' 14' ' ' LEU . 19.6 m -141.09 155.05 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 16.7 tt0 -103.47 158.18 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -131.18 133.13 45.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -19.12 65.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -154.73 141.53 13.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -27.4 26.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -63.18 -27.48 69.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.612 HD13 ' HB1' ' A' ' 9' ' ' ALA . 67.4 mt -67.28 132.77 48.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 169.44 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.36 143.15 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 2.0 mtmp? -145.92 125.04 12.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -95.79 135.28 37.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 67.8 m-85 -126.92 157.66 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 78' ' ' TYR . 20.2 tptp -133.64 135.4 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.3 t30 39.14 25.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . 87.94 35.04 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' LYS . 25.3 mt-30 -148.53 121.68 8.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.311 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -43.0 146.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.3 mt -107.08 139.93 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -103.7 140.0 20.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 113.65 3.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' TYR . 35.2 m -147.39 169.03 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.6 m -43.38 -30.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -71.87 -38.54 70.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' SER . 85.3 m-85 -106.69 122.94 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.0 mm -98.8 102.25 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -91.7 118.5 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -168.61 137.1 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -131.92 130.65 41.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 mp -119.57 151.44 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.837 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -147.09 131.42 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 27' ' ' ARG . 33.0 m-85 -119.68 147.96 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.633 HD11 ' CD1' ' A' ' 65' ' ' LEU . 3.8 mp -126.72 114.1 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -85.69 159.29 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.28 43.38 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.639 ' O ' HG21 ' A' ' 93' ' ' VAL . 88.4 m -66.91 96.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.575 ' O ' HG11 ' A' ' 93' ' ' VAL . 7.4 tp-100 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.754 ' HB3' HG12 ' A' ' 93' ' ' VAL . 8.9 p-10 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.427 ' HB2' ' CE ' ' A' ' 43' ' ' LYS . 1.6 m -136.76 172.0 13.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -92.55 109.48 20.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 43' ' ' LYS . 18.2 m-85 -89.9 148.1 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 42' ' ' TYR . 46.6 p90 -142.66 132.12 23.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.589 HG12 ' SG ' ' A' ' 87' ' ' CYS . 10.6 p -108.75 155.43 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.407 ' N ' HG22 ' A' ' 80' ' ' VAL . 71.8 p -125.02 145.0 50.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.529 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -155.71 107.65 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.58 -109.73 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.35 18.42 14.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -133.41 166.95 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -164.96 146.27 7.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.589 ' SG ' HG12 ' A' ' 80' ' ' VAL . 23.4 p -124.06 171.65 9.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.5 p -148.6 153.4 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.1 t -141.06 160.84 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -112.23 127.96 56.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.863 HD21 HG11 ' A' ' 26' ' ' VAL . 3.2 tm? -96.11 133.41 40.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.705 ' N ' HD13 ' A' ' 91' ' ' LEU . 38.1 m-85 -128.15 96.14 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.754 HG12 ' HB3' ' A' ' 75' ' ' ASP . 6.5 p -100.15 109.87 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.858 0.361 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 73.8 m-85 -93.78 120.27 33.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.89 -34.74 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -133.07 89.44 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.5 pt -68.63 165.06 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.5 HD21 HG13 ' A' ' 30' ' ' VAL . 4.6 mt -71.85 136.19 46.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.567 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.8 m-20 -38.93 156.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.655 0.74 . . . . 0.0 110.843 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -14.21 35.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.07 135.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 27.6 m-85 -112.44 162.29 15.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 56.3 mt-30 -150.62 120.38 7.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.652 HG11 HG13 ' A' ' 26' ' ' VAL . 8.6 p -136.44 167.81 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.569 ' N ' HG22 ' A' ' 20' ' ' VAL . 10.5 m-20 -85.93 143.32 28.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HA ' ' CG2' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -42.27 156.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.82 29.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -100.53 -147.74 21.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -143.16 123.39 13.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.977 HG11 HD21 ' A' ' 91' ' ' LEU . 9.9 m -95.28 155.67 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -121.19 118.75 30.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.474 ' HZ ' HD23 ' A' ' 91' ' ' LEU . 50.6 m-85 -119.11 107.86 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.639 HG22 HG23 ' A' ' 64' ' ' ILE . 96.7 t -111.1 137.34 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG13 HD21 ' A' ' 14' ' ' LEU . 35.9 m -134.97 125.93 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -97.73 142.99 28.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -118.02 131.27 56.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.7 -18.68 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.592 ' OD1' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -140.79 127.68 11.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.13 31.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -59.65 -43.34 93.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' OD1' ' A' ' 34' ' ' ASP . 88.2 mt -66.65 142.72 57.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -95.13 170.32 9.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.8 HG21 ' HG3' ' A' ' 63' ' ' ARG . 23.8 m -125.36 151.67 31.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -148.11 124.22 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.48 ' HB3' HD12 ' A' ' 48' ' ' ILE . 54.7 m95 -97.14 135.15 39.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.433 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 97.0 m-85 -133.6 155.52 49.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -132.62 98.99 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 61.99 43.23 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.27 32.0 56.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -137.2 120.53 16.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.74 0.305 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -57.5 135.91 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 41' ' ' TRP . 47.6 mt -97.65 135.62 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -110.65 147.35 36.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.01 6.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.8 p -148.3 -175.13 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 t -56.72 -20.84 24.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HE2' HG23 ' A' ' 67' ' ' ILE . 41.1 tttt -91.12 -40.01 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -102.54 120.54 40.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mm -110.69 111.54 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -94.65 114.36 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' HD12 ' A' ' 64' ' ' ILE . 91.2 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.757 0.313 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -152.3 105.38 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.8 ' HG3' HG21 ' A' ' 39' ' ' VAL . 30.1 mmt180 -99.76 112.81 25.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.639 HG23 HG22 ' A' ' 29' ' ' VAL . 3.0 mp -103.54 144.7 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.72 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.7 tm? -132.05 128.1 37.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.72 ' N ' HD13 ' A' ' 65' ' ' LEU . 70.7 m-85 -114.79 131.65 56.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.626 HG23 ' HE2' ' A' ' 53' ' ' LYS . 67.6 mt -119.77 105.43 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -85.22 168.07 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 62.24 40.97 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 23' ' ' GLY . 99.7 m -59.43 97.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.526 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.795 0.331 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 2.3 m -136.47 162.82 32.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -79.28 109.13 13.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 76' ' ' SER . 23.9 m-85 -95.23 144.59 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 42' ' ' TYR . 26.1 p90 -146.25 133.45 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.969 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -110.35 138.9 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.3 p -114.17 135.75 53.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -145.82 107.92 4.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.7 -109.75 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -117.57 10.5 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 73.0 mm-40 -129.39 159.38 36.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -161.77 165.8 27.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 2.6 m -151.5 154.18 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.1 p -126.0 155.18 41.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.6 t -134.83 169.49 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.587 ' OE1' ' CD2' ' A' ' 92' ' ' PHE . 5.8 tm-20 -114.65 138.18 51.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.977 HD21 HG11 ' A' ' 26' ' ' VAL . 3.0 tm? -112.8 125.37 54.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.587 ' CD2' ' OE1' ' A' ' 90' ' ' GLU . 51.3 m-85 -122.81 93.46 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.526 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.5 p -89.75 110.5 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -39.58 -61.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.809 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -143.95 116.1 8.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.45 -162.75 10.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 p -93.18 42.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -112.75 95.08 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.2 56.28 2.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.527 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.05 123.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.39 -40.27 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.539 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 35.7 m-85 -92.65 114.88 27.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -71.3 -29.74 65.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -149.89 110.07 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.8 pp -77.3 163.36 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.5 mt -70.43 152.51 43.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.539 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.1 m-20 -53.87 155.77 5.72 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.85 33.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.67 131.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.539 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 23.8 m-85 -108.16 166.48 10.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -150.26 126.66 10.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.477 ' HB ' HG12 ' A' ' 26' ' ' VAL . 5.8 p -144.05 164.14 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' N ' HG22 ' A' ' 20' ' ' VAL . 3.3 p30 -81.59 155.69 25.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' GLY . 21.3 ttpp -53.47 158.3 1.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.96 30.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -101.27 -146.8 19.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -145.93 127.37 15.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.729 HG11 HD21 ' A' ' 91' ' ' LEU . 28.0 m -93.24 165.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 52.3 ttp180 -128.92 113.81 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -116.45 110.11 18.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.939 HG22 HG23 ' A' ' 64' ' ' ILE . 49.9 t -116.76 142.73 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 HD21 ' A' ' 14' ' ' LEU . 21.0 m -144.21 142.04 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -105.97 149.54 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD21 HG12 ' A' ' 39' ' ' VAL . 5.9 mt -123.71 132.2 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.27 -30.51 50.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.55 143.51 16.12 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -21.55 33.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -53.53 -40.56 65.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.82 159.64 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -112.17 145.91 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.709 HG21 ' HG3' ' A' ' 63' ' ' ARG . 35.8 m -107.66 144.73 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 21.9 mtmt -143.3 126.64 16.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -99.48 138.59 36.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 99.2 m-85 -137.55 145.74 43.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -127.47 104.49 7.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 64.76 43.34 4.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.85 35.77 80.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -141.95 120.76 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.733 0.301 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.517 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 53.9 tt0 -57.3 130.3 45.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -90.04 136.66 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -103.3 143.38 26.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 115.62 4.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' TYR . 4.3 t -152.98 168.58 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' SER . 35.1 p -36.8 -39.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -70.35 -43.98 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 51' ' ' SER . 78.8 m-85 -101.25 114.65 28.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mm -101.32 105.57 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -93.37 114.59 27.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -117.14 123.74 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 15.8 p-80 -111.77 124.11 51.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.11 104.97 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.47 -102.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.5 m -118.08 41.41 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.745 0.307 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -142.04 139.63 32.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.709 ' HG3' HG21 ' A' ' 39' ' ' VAL . 66.2 mmt-85 -126.95 113.78 16.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.939 HG23 HG22 ' A' ' 29' ' ' VAL . 2.1 mp -103.95 149.14 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.762 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -140.49 128.52 22.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.75 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.0 m-85 -119.21 134.09 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.463 HG13 ' CD1' ' A' ' 65' ' ' LEU . 53.2 mt -119.62 108.86 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.184 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -84.58 159.82 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 69.67 41.17 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLY . 83.1 m -67.58 102.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.503 ' O ' HG11 ' A' ' 93' ' ' VAL . 12.7 tp-100 -109.78 154.62 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.629 ' HA ' HG13 ' A' ' 93' ' ' VAL . 11.7 ttm -46.01 -37.58 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -72.73 -33.43 66.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -61.24 -36.38 79.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.682 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.1 t0 -39.99 101.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.41 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 5.1 m -136.51 170.27 16.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -81.33 138.89 35.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CE1' ' O ' ' A' ' 76' ' ' SER . 76.2 m-85 -125.93 140.2 52.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 26.5 p90 -147.75 125.98 12.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.973 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.67 142.73 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.416 HG22 ' CB ' ' A' ' 86' ' ' LYS . 78.4 p -115.95 142.61 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -152.91 111.7 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.14 -115.67 5.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.91 27.4 9.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -144.95 162.87 35.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.416 ' CB ' HG22 ' A' ' 81' ' ' THR . 11.9 pttp -164.38 153.14 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.0 p -131.39 173.72 10.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.0 p -143.99 156.36 44.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -147.75 168.86 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -122.35 131.22 53.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.729 HD21 HG11 ' A' ' 26' ' ' VAL . 3.1 tm? -97.32 131.75 43.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.712 ' N ' HD13 ' A' ' 91' ' ' LEU . 54.1 m-85 -121.26 96.37 5.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 75' ' ' ASP . 5.2 p -101.06 121.5 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -79.26 169.87 17.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.2 m -160.6 120.51 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.74 163.85 36.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 175.37 8.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.731 2.287 . . . . 0.0 112.384 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 m -124.49 -57.74 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.6 m -126.58 165.35 19.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.519 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -94.18 87.59 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -89.01 41.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.82 154.28 6.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 m -157.98 142.86 16.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -145.74 138.74 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.98 72.65 0.98 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.45 95.6 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . -92.55 -42.89 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 42.5 m-85 -99.01 109.28 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -33.41 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -143.37 105.07 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 pt -73.56 160.03 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.608 HD21 HG13 ' A' ' 30' ' ' VAL . 6.7 mt -66.38 140.41 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -41.82 154.06 0.26 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.555 0.693 . . . . 0.0 110.858 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.13 25.35 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.82 139.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 16.4 m-85 -117.52 164.22 15.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -148.51 124.28 10.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.516 ' HB ' HG12 ' A' ' 26' ' ' VAL . 3.5 p -140.18 163.8 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 20' ' ' VAL . 1.7 t70 -82.16 155.16 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' GLY . 4.8 ttpm? -51.94 154.72 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.48 30.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.422 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -100.81 -148.74 22.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -140.71 126.49 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.751 HG11 HD21 ' A' ' 91' ' ' LEU . 16.8 m -92.52 162.19 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -128.77 118.56 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -119.33 112.59 19.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.49 HG22 HG12 ' A' ' 64' ' ' ILE . 44.6 t -112.32 140.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.608 HG13 HD21 ' A' ' 14' ' ' LEU . 28.9 m -145.25 132.08 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -97.87 155.67 16.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 mt -129.19 127.85 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.27 -30.13 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -151.42 142.92 15.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -17.61 37.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -63.57 -29.2 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 mt -78.16 136.85 37.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -84.75 178.87 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.497 HG21 ' HG3' ' A' ' 63' ' ' ARG . 29.2 m -145.42 151.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -150.16 124.71 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -96.77 134.88 39.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.446 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 86.9 m-85 -128.33 150.69 49.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -132.35 96.52 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 72.75 37.91 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.53 33.52 47.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -142.54 134.43 27.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -67.59 134.46 51.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -93.96 140.96 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -110.17 143.65 28.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 121.67 8.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 t -157.59 -179.95 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -49.43 -19.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -90.24 -47.81 7.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -100.86 120.3 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.439 HG22 ' OE2' ' A' ' 57' ' ' GLU . 2.1 mm -108.76 112.74 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -100.51 120.57 40.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' OE2' HG22 ' A' ' 55' ' ' ILE . 31.8 mp0 -120.04 165.28 14.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -133.21 110.52 10.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -126.46 85.82 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.45 96.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.553 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.7 m 39.49 32.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 3.6 tt0 -134.18 104.12 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.497 ' HG3' HG21 ' A' ' 39' ' ' VAL . 12.7 mmt-85 -91.89 119.03 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.49 HG12 HG22 ' A' ' 29' ' ' VAL . 17.2 mt -109.15 139.2 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.612 ' C ' HD13 ' A' ' 65' ' ' LEU . 3.3 tm? -128.58 128.76 44.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.6 ' N ' HD13 ' A' ' 65' ' ' LEU . 95.4 m-85 -117.48 129.85 56.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.442 HG13 ' CD1' ' A' ' 65' ' ' LEU . 50.0 mt -116.54 112.48 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -85.47 167.42 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 61.65 44.55 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' GLY . 93.2 m -67.18 97.47 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.0 tp-100 -113.52 167.08 10.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.0 mmt -42.33 -26.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.829 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.5 p -76.7 -38.89 53.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 76' ' ' SER . 9.0 t70 -52.32 -38.82 59.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.436 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -49.57 87.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 74' ' ' ASP . 28.3 p -136.46 165.32 26.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -85.72 107.09 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 76' ' ' SER . 15.3 m-85 -97.21 145.11 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 20.5 p90 -149.6 131.03 14.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.535 HG22 ' N ' ' A' ' 81' ' ' THR . 13.0 p -103.15 161.65 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.535 ' N ' HG22 ' A' ' 80' ' ' VAL . 65.0 p -131.77 141.4 49.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.454 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -150.57 112.52 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.17 -103.49 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.43 8.43 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 56.4 mm-40 -119.42 159.91 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -161.44 146.65 13.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 t -134.56 166.11 23.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.8 t -135.56 169.58 17.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.2 t -150.74 173.31 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.92 123.8 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.751 HD21 HG11 ' A' ' 26' ' ' VAL . 2.9 tm? -97.11 132.96 42.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.738 ' N ' HD13 ' A' ' 91' ' ' LEU . 60.0 m-85 -125.37 95.68 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.6 p -93.27 121.72 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.6 mtp85 -80.17 166.79 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.0 p -112.68 103.95 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.5 145.57 48.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.6 21.1 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.316 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 t -131.29 161.93 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.2 m -72.53 -57.02 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 1' ' ' GLY . 53.1 p 37.57 44.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 m -39.62 128.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.36 -121.82 2.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t 62.23 49.95 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 m -106.61 164.21 12.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.5 -63.38 0.62 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.32 38.09 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -59.43 -26.75 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 32.4 m-85 -102.5 106.5 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -67.48 -32.34 73.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -146.24 105.45 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.7 pp -77.28 162.58 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.1 mt -69.02 149.4 48.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 14.3 m-20 -50.02 156.37 1.35 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -10.07 27.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 0.0 112.389 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.67 144.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 26.9 m-85 -122.17 162.36 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -147.3 126.22 12.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.583 HG22 ' H ' ' A' ' 21' ' ' ASP . 6.4 p -141.75 168.82 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.583 ' H ' HG22 ' A' ' 20' ' ' VAL . 2.6 p30 -88.46 140.98 28.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 14.5 ttpp -40.49 155.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.454 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 38.54 37.84 0.58 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.8 -144.71 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -144.43 128.09 17.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.748 HG11 HD21 ' A' ' 91' ' ' LEU . 34.5 m -98.16 168.91 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 27' ' ' ARG . 22.8 ttm105 -124.76 127.55 47.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.618 ' HE2' HG21 ' A' ' 26' ' ' VAL . 62.8 m-85 -137.72 107.41 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 30' ' ' VAL . 6.8 p -134.93 154.92 37.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' N ' HG22 ' A' ' 29' ' ' VAL . 18.6 m -146.57 170.9 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 33.7 mt-10 -119.42 139.91 51.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.512 HD21 ' CG1' ' A' ' 39' ' ' VAL . 4.3 mt -110.92 124.3 51.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.49 -25.75 11.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 2.9 t70 -150.2 140.49 14.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' ' 34' ' ' ASP . 53.9 Cg_endo -69.78 -17.77 37.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -65.64 -34.62 78.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD13 ' HB1' ' A' ' 9' ' ' ALA . 73.9 mt -64.9 159.54 22.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -111.7 155.78 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.632 HG11 ' HG3' ' A' ' 63' ' ' ARG . 34.8 m -118.59 145.77 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -146.01 123.43 11.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.628 ' HB3' HD12 ' A' ' 48' ' ' ILE . 65.2 m95 -97.12 138.5 34.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.445 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.4 m-85 -137.51 150.55 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -132.2 105.76 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 59.72 37.44 22.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.45 30.02 42.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.94 129.89 42.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 33.0 tt0 -65.05 131.61 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.628 HD12 ' HB3' ' A' ' 41' ' ' TRP . 60.9 mt -98.08 135.85 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mtp-105 -117.73 151.37 48.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.694 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 116.92 4.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.629 2.219 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' TYR . 1.1 t -154.54 169.07 24.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 48.8 p -35.55 -35.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.172 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' SER . 45.1 tttm -78.3 -44.83 24.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' SER . 69.5 m-85 -102.28 120.39 40.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mm -107.8 111.6 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -94.91 116.71 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -130.22 113.28 14.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 10.8 p-80 -102.72 124.21 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -134.48 87.63 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 56.1 102.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 60' ' ' GLY . 97.7 m 34.45 36.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 60' ' ' GLY . 4.7 tt0 -141.31 106.57 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.632 ' HG3' HG11 ' A' ' 39' ' ' VAL . 26.0 mmt180 -100.58 112.65 25.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.542 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.5 mt -99.52 154.23 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.729 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.6 tm? -145.67 128.85 16.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.729 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.8 m-85 -122.52 134.88 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.3 mt -117.28 119.29 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -91.46 160.43 15.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 65.42 49.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' A' ' 26' ' ' VAL . 28.7 m -65.38 99.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -113.68 159.65 19.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.5 mmt -42.36 -44.28 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -60.74 -38.09 83.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 76' ' ' SER . 11.9 t0 -53.66 -45.7 70.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.1 t0 -42.88 91.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ASP . 4.2 m -135.5 168.74 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -83.21 108.16 16.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -96.85 141.7 29.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 36.9 p90 -147.97 128.49 14.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 14.6 p -106.78 144.56 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.3 p -117.41 140.51 49.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.422 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -151.68 110.66 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.99 -107.97 2.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.95 10.54 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 27.6 mm-40 -125.93 158.64 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -159.97 151.52 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.44 173.11 12.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 p -142.36 161.58 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -144.65 171.12 14.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -125.72 126.41 44.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.748 HD21 HG11 ' A' ' 26' ' ' VAL . 3.3 tm? -98.15 132.74 43.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.652 ' N ' HD13 ' A' ' 91' ' ' LEU . 41.1 m-85 -123.78 94.27 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.488 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.5 p -93.17 110.05 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.35 176.99 8.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 m -139.64 116.53 10.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.79 -160.21 25.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -14.16 35.76 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.283 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.3 m -43.61 104.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.1 m -55.79 141.89 36.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -88.62 88.83 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -147.79 150.44 34.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.26 75.99 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -122.21 -44.3 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -121.3 136.48 54.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.32 129.98 1.15 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.02 105.55 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -102.58 -28.82 11.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 36.9 m-85 -101.84 106.2 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.7 -19.58 62.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -151.92 106.79 3.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 pt -77.56 173.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.485 HD21 HG13 ' A' ' 30' ' ' VAL . 6.9 mt -81.94 154.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -57.54 153.5 29.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.828 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -13.29 34.52 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.38 136.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 23.5 m-85 -114.75 161.08 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -140.22 131.35 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.661 ' HB ' HG12 ' A' ' 26' ' ' VAL . 3.9 p -146.14 154.25 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.39 146.29 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -43.6 149.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.469 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 41.54 35.83 1.43 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.52 -142.51 10.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.533 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -144.7 124.64 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.661 HG12 ' HB ' ' A' ' 20' ' ' VAL . 4.3 m -94.14 168.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 18' ' ' TYR . 34.5 ttt-85 -128.36 132.66 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' LEU . 48.2 m-85 -142.01 107.49 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 30' ' ' VAL . 4.2 p -132.6 153.25 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.485 HG13 HD21 ' A' ' 14' ' ' LEU . 16.5 m -141.68 161.84 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -111.7 139.41 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.631 HD11 HG11 ' A' ' 39' ' ' VAL . 18.3 mt -115.11 119.62 37.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.41 -24.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -153.19 143.75 15.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.595 0.712 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -25.24 28.67 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.655 2.236 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -57.17 -36.74 71.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.544 HD13 ' HB1' ' A' ' 9' ' ' ALA . 26.4 mt -64.81 144.57 57.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -93.36 163.56 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.631 HG11 HD11 ' A' ' 32' ' ' LEU . 29.1 m -134.11 140.71 45.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 57.5 mttm -141.43 124.15 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.587 ' HB3' HD12 ' A' ' 48' ' ' ILE . 70.2 m95 -95.1 133.48 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 94.1 m-85 -130.42 146.34 51.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -130.41 104.41 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.7 t30 66.91 43.18 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.82 35.52 73.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -150.72 116.98 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -46.54 152.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 41' ' ' TRP . 79.3 mt -106.33 131.72 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.73 143.0 25.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 118.49 5.71 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 t -152.44 -179.02 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.009 0.433 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 t -55.76 -17.75 6.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -89.18 -43.25 11.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CD1' HG12 ' A' ' 67' ' ' ILE . 77.5 m-85 -101.27 114.05 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.74 HG22 ' OE1' ' A' ' 57' ' ' GLU . 5.9 mm -97.66 105.24 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -93.07 119.08 31.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.74 ' OE1' HG22 ' A' ' 55' ' ' ILE . 8.3 mp0 -126.89 160.48 30.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -141.43 119.41 11.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -133.45 88.22 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 51.9 102.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 60' ' ' GLY . 61.0 m 34.9 43.88 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -147.92 115.99 6.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.454 ' HG3' HG11 ' A' ' 39' ' ' VAL . 28.7 mmt180 -105.23 118.86 37.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.634 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 16.8 mt -104.7 152.39 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.9 tm? -146.27 128.86 16.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.837 ' N ' HD13 ' A' ' 65' ' ' LEU . 98.4 m-85 -122.5 138.84 54.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.575 ' CD1' ' CE2' ' A' ' 78' ' ' TYR . 83.8 mt -121.71 115.29 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -88.85 166.2 14.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 62.06 49.33 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.517 ' SG ' HG11 ' A' ' 20' ' ' VAL . 80.8 m -66.42 116.34 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.724 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -122.1 161.11 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.401 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -56.73 -66.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.2 t -53.93 -24.02 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.73 -36.19 70.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.6 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -42.12 113.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.0 t -136.99 171.52 14.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -94.74 107.49 19.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.575 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 24.5 m-85 -88.2 140.18 29.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 33.8 p90 -144.13 128.49 17.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.88 152.61 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.0 p -125.2 135.86 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.563 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -148.42 108.59 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.91 -114.61 4.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -114.71 13.71 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -128.46 158.8 37.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -161.79 154.35 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -138.1 171.92 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.8 p -143.49 158.18 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 t -142.24 168.19 20.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -123.53 129.86 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.747 ' C ' HD13 ' A' ' 91' ' ' LEU . 1.3 tm? -98.14 125.79 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.493 ' N ' HD22 ' A' ' 91' ' ' LEU . 49.3 m-85 -112.58 96.27 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.724 HG11 ' O ' ' A' ' 71' ' ' GLN . 6.8 p -97.85 117.68 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -89.17 162.89 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.4 t -105.88 -45.86 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.88 141.71 10.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -5.62 16.64 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.9 p -146.69 165.31 29.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -159.7 123.58 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -86.18 105.8 16.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -117.19 105.58 12.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.58 -87.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -74.42 112.5 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.39 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -92.78 106.84 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.68 39.35 1.0 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.59 123.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.822 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . -125.81 -37.02 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.455 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 28.3 m-85 -106.1 118.52 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.69 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -78.27 -24.97 46.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -159.99 106.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 pt -74.49 168.19 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD12 ' H ' ' A' ' 14' ' ' LEU . 4.7 mp -74.69 170.53 15.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.524 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.7 m-20 -70.19 160.01 82.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -13.21 34.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.43 141.44 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 11.6 m-85 -116.27 165.42 13.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -146.49 124.51 12.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.577 HG22 ' H ' ' A' ' 21' ' ' ASP . 7.4 p -140.56 168.72 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.577 ' H ' HG22 ' A' ' 20' ' ' VAL . 4.4 p-10 -89.98 144.65 25.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -42.84 152.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.23 25.45 0.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -96.36 -144.49 17.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 ttp85 -143.87 128.96 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.735 HG11 HD21 ' A' ' 91' ' ' LEU . 31.5 m -100.42 166.71 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 21.0 ttp-105 -125.28 129.16 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 65' ' ' LEU . 37.1 m-85 -138.51 107.45 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.434 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 3.8 p -133.29 148.34 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.455 ' CG1' ' CD1' ' A' ' 14' ' ' LEU . 16.3 m -141.19 152.01 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 25.4 tt0 -98.86 157.06 16.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD21 ' CG1' ' A' ' 39' ' ' VAL . 2.8 mt -130.53 122.97 28.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.97 -29.86 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -151.73 148.38 21.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.0 32.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -59.26 -41.94 90.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.7 154.35 11.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -111.04 147.27 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 63' ' ' ARG . 32.7 m -112.61 149.03 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -148.49 123.69 10.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.587 ' HB3' HD12 ' A' ' 48' ' ' ILE . 62.8 m95 -96.22 138.63 33.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.498 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 98.4 m-85 -135.66 149.39 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -132.62 101.1 5.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 71.62 37.09 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.81 34.96 46.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -144.49 135.24 24.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 28.3 tt0 -62.03 137.08 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 41' ' ' TRP . 68.7 mt -96.85 129.63 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -99.69 143.21 26.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 125.88 12.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 t -160.78 171.58 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 p -39.9 -29.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -79.7 -47.26 15.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.506 ' CD1' HG12 ' A' ' 67' ' ' ILE . 95.0 m-85 -101.49 118.22 36.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.4 mm -105.21 115.96 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -100.58 124.21 45.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -133.06 136.48 45.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -112.53 120.83 42.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 60' ' ' GLY . 5.2 mmmm -128.78 93.22 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 59' ' ' LYS . . . 37.05 90.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 79.4 m 51.78 45.97 27.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.434 ' HG2' ' CG2' ' A' ' 29' ' ' VAL . 7.9 tt0 -150.49 112.82 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.673 ' HG3' HG21 ' A' ' 39' ' ' VAL . 10.8 mmt180 -101.61 107.3 18.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 65' ' ' LEU . 18.9 mt -95.18 154.58 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.4 tm? -148.25 126.47 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.836 ' N ' HD13 ' A' ' 65' ' ' LEU . 77.2 m-85 -119.15 132.26 55.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 54' ' ' TYR . 59.9 mt -118.61 108.5 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -86.07 167.32 15.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 63.3 44.8 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.706 ' O ' HG21 ' A' ' 93' ' ' VAL . 73.5 m -67.79 99.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.504 ' O ' HG11 ' A' ' 93' ' ' VAL . 5.0 tp-100 -96.89 149.18 22.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.65 ' HA ' HG13 ' A' ' 93' ' ' VAL . 38.9 tpp -54.79 -26.58 35.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.1 p -84.97 -28.6 25.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -72.03 -34.02 68.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.81 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.7 p-10 -37.57 103.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -136.63 170.39 16.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.9 125.36 34.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -107.94 141.99 38.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 23.1 p90 -141.45 134.81 29.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 7.2 p -112.56 147.97 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.6 p -119.64 140.09 51.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.78 110.29 4.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.5 -110.09 3.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -115.35 14.38 16.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.822 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 7.7 mm-40 -124.55 157.29 35.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -160.96 141.53 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.8 p -129.82 172.51 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.2 p -148.3 154.75 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -139.67 161.98 36.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -113.01 127.13 56.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 75' ' ' ASP . 3.4 tm? -96.79 131.96 42.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.495 ' N ' HD13 ' A' ' 91' ' ' LEU . 51.3 m-85 -128.53 94.14 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.76 HG12 ' HB3' ' A' ' 75' ' ' ASP . 3.8 p -97.9 112.24 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -71.71 141.66 49.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.0 t -137.73 107.72 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -128.33 147.64 17.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 139.21 39.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.0 p -146.71 171.73 14.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 m -163.98 140.66 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -54.81 122.36 10.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t -163.26 152.78 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.1 131.28 0.48 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -48.63 124.17 7.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.38 . . . . 0.0 110.85 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -94.48 87.14 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.75 73.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.61 116.5 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.327 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.783 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -108.02 -36.06 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.615 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 40.6 m-85 -96.86 118.18 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . . . -74.77 -30.85 61.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -149.31 111.66 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 pt -78.55 172.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HG ' HG12 ' A' ' 30' ' ' VAL . 3.8 mp -84.35 167.31 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.535 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 69.0 m-20 -65.01 151.24 93.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.532 0.682 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -9.69 26.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.1 129.72 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 18.6 m-85 -107.5 165.11 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 32.3 mt-30 -147.1 124.12 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.539 HG22 ' H ' ' A' ' 21' ' ' ASP . 3.3 p -144.93 168.71 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.539 ' H ' HG22 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -91.79 147.69 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 3.5 ttmp? -47.67 158.96 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 38.49 33.47 0.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.446 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.56 -144.56 11.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -145.38 125.67 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.859 HG11 HD21 ' A' ' 91' ' ' LEU . 12.9 m -96.22 166.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 33.6 ttm180 -126.09 123.53 38.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 65' ' ' LEU . 43.2 m-85 -131.61 107.48 8.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -129.67 141.89 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG12 ' HG ' ' A' ' 14' ' ' LEU . 28.5 m -134.05 171.46 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 11' ' ' ALA . 27.1 tt0 -126.93 156.06 42.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 mt -129.94 133.03 46.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -27.8 65.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -152.09 145.12 17.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -10.08 27.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 5.5 pttt -68.81 -29.12 67.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.783 HD13 ' HB1' ' A' ' 9' ' ' ALA . 47.3 mt -78.71 143.61 36.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 178.4 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG11 ' HG3' ' A' ' 63' ' ' ARG . 26.2 m -143.65 140.91 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -141.39 123.52 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -96.69 133.1 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.53 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.1 m-85 -129.74 148.74 51.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HB2' HD11 ' A' ' 48' ' ' ILE . 63.1 tttt -128.53 99.04 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 72.55 39.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.87 33.76 59.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -141.89 137.22 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.42 129.95 41.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.462 HD11 ' HB2' ' A' ' 43' ' ' LYS . 69.5 mt -90.22 139.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -105.88 142.39 24.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 120.43 7.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.274 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.2 p -158.96 170.9 21.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -38.96 -38.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -68.38 -48.87 63.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CD1' HG12 ' A' ' 67' ' ' ILE . 97.2 m-85 -100.51 116.22 31.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.19 105.05 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -92.15 114.09 26.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 64' ' ' ILE . 51.2 mm-40 -121.58 113.88 20.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 63' ' ' ARG . 2.3 t60 -105.62 124.71 50.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -137.3 105.28 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.4 -104.92 0.41 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.3 m -115.1 32.36 6.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -133.39 138.69 46.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 22.4 mmt-85 -126.77 120.0 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.9 mp -108.42 156.07 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.751 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.5 tm? -149.19 129.33 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.751 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.3 m-85 -124.14 129.43 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.5 HG12 ' CD1' ' A' ' 54' ' ' TYR . 62.7 mt -112.55 113.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -87.39 154.41 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 72.08 43.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.45 ' SG ' HG13 ' A' ' 26' ' ' VAL . 73.6 m -68.42 103.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 74' ' ' ASP . 4.0 tt0 -120.88 165.36 15.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.2 tpp -46.66 -33.7 4.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -73.41 -29.28 62.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 76' ' ' SER . 4.6 m-20 -71.51 -37.4 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.52 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -44.08 91.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ASP . 26.5 m -131.48 162.14 30.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -79.73 106.78 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -91.31 146.06 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.0 p90 -153.89 132.65 12.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.97 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.0 p -110.32 149.21 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.5 p -121.32 136.89 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.615 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -146.03 108.17 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.046 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.23 -106.4 1.83 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -118.94 8.58 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -123.28 158.88 29.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -165.66 146.65 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.9 t -129.17 172.55 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 p -142.86 150.82 40.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.2 t -135.99 156.29 48.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -110.72 127.93 55.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.859 HD21 HG11 ' A' ' 26' ' ' VAL . 2.5 tm? -97.02 124.73 41.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.671 ' N ' HD13 ' A' ' 91' ' ' LEU . 51.8 m-85 -116.92 94.24 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.5 p -89.09 116.24 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -66.98 169.32 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.8 p -94.49 42.93 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.49 144.59 25.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.434 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 98' ' ' SER . 54.0 Cg_endo -69.72 -22.4 32.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 97' ' ' PRO . 16.1 t -34.54 118.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.1 t -117.8 164.52 14.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 t -129.73 102.43 6.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 p -101.07 -55.79 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.78 -129.64 1.88 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 t -113.45 128.36 56.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -133.63 140.85 47.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.34 -29.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.94 106.9 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -98.95 -30.13 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 44.4 m-85 -95.86 111.4 23.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.6 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.98 107.71 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.3 pt -79.6 168.74 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 14' ' ' LEU . 4.3 mp -76.66 171.74 14.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 13.2 m-20 -71.63 157.72 89.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.716 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.84 27.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.72 144.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.517 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 8.7 m-85 -123.15 161.24 24.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -149.28 129.18 13.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.654 HG11 HG13 ' A' ' 26' ' ' VAL . 10.0 p -145.57 169.58 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.61 ' H ' HG22 ' A' ' 20' ' ' VAL . 10.1 t70 -85.15 153.34 22.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 13.1 ttpp -51.65 153.8 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 39.43 26.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -94.43 -147.17 21.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -144.52 122.16 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.727 HG11 HD21 ' A' ' 91' ' ' LEU . 12.9 m -95.04 168.85 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 54.8 ttp180 -128.7 124.99 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LEU . 38.1 m-85 -131.45 107.93 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 p -125.84 143.5 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.72 165.9 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -124.49 151.6 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD11 ' CG1' ' A' ' 39' ' ' VAL . 4.3 mt -131.43 123.6 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.76 -29.42 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -147.91 141.74 15.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -28.85 24.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -48.44 -35.05 12.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.51 HD13 ' HB1' ' A' ' 9' ' ' ALA . 22.7 mt -68.13 155.14 40.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -103.15 154.35 19.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.668 ' CG1' HD11 ' A' ' 32' ' ' LEU . 27.7 m -120.57 140.39 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 86.5 mttt -142.24 124.14 15.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.462 ' CH2' ' HB3' ' A' ' 28' ' ' PHE . 70.2 m95 -96.7 136.95 36.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 60.2 m-85 -131.6 149.51 52.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HB2' HD11 ' A' ' 48' ' ' ILE . 32.5 tttt -131.72 104.95 7.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.1 t30 63.18 45.83 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.39 34.93 86.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -143.41 123.86 13.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.97 130.48 47.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' A' ' 43' ' ' LYS . 80.7 mt -87.71 131.87 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -97.63 142.17 24.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 123.31 9.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -160.14 173.14 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.2 p -45.49 -31.67 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -73.95 -45.97 47.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -101.67 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.12 105.3 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -94.07 115.56 27.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 64' ' ' ILE . 30.2 mt-10 -123.93 117.14 24.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -103.34 124.35 48.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -131.29 86.16 2.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.13 -105.37 0.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.3 p -105.7 39.62 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.741 0.305 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' NE2' HD11 ' A' ' 64' ' ' ILE . 6.5 tt0 -149.33 133.58 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.651 ' HG3' HG21 ' A' ' 39' ' ' VAL . 18.7 mmt180 -125.11 114.68 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.7 mp -98.76 153.83 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.768 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.4 tm? -146.72 127.61 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.689 ' N ' HD13 ' A' ' 65' ' ' LEU . 89.1 m-85 -119.62 134.31 55.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.43 HG13 ' CD1' ' A' ' 65' ' ' LEU . 52.8 mt -118.41 109.38 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -81.95 158.9 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 62.13 52.23 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.723 ' O ' HG21 ' A' ' 93' ' ' VAL . 73.0 m -71.23 102.78 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -121.82 166.1 14.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.3 mmt -48.82 -34.68 12.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 p -69.38 -27.21 65.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -84.7 -21.86 29.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.687 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -61.7 91.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 34.5 m -136.71 172.96 12.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.19 129.37 34.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 76' ' ' SER . 51.4 m-85 -111.99 152.35 28.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 41.8 p90 -157.42 129.11 6.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.407 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 10.1 p -110.6 144.28 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.0 p -115.52 144.22 44.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.659 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -153.42 108.95 3.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.92 -112.07 4.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.09 17.46 16.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -137.35 159.51 41.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -161.84 153.27 18.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.38 166.02 22.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.2 p -137.76 147.56 44.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -133.17 173.09 11.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -125.32 141.02 52.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.727 HD21 HG11 ' A' ' 26' ' ' VAL . 3.2 tm? -113.3 131.83 55.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.473 ' N ' HD13 ' A' ' 91' ' ' LEU . 50.3 m-85 -125.59 92.67 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.723 HG21 ' O ' ' A' ' 70' ' ' CYS . 2.4 p -95.19 118.46 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -75.55 168.85 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.3 t -157.33 117.08 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.4 -155.89 14.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 100.47 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -95.16 -53.38 3.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 m -101.66 104.45 15.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.449 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -67.85 164.21 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -80.48 -46.14 16.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.43 46.01 1.23 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -49.26 -49.5 43.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -126.99 148.93 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.15 -72.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.434 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.04 39.03 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -55.22 -24.09 25.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 32.2 m-85 -108.37 110.63 22.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.788 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -67.98 -30.68 70.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -144.3 107.55 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 pt -79.48 159.95 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.52 HD21 HG13 ' A' ' 30' ' ' VAL . 5.6 mt -72.72 139.2 47.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.529 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.1 m-20 -44.22 157.73 0.29 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 110.812 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.73 36.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.05 147.68 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.529 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 19.3 m-85 -124.2 165.36 17.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -148.01 126.31 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.541 ' HB ' HG12 ' A' ' 26' ' ' VAL . 8.3 p -141.47 161.88 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' N ' HG22 ' A' ' 20' ' ' VAL . 1.7 p30 -83.27 148.04 27.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 30.7 tttm -42.17 154.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 35.39 35.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -102.52 -145.25 15.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -144.92 122.98 12.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.979 HG11 HD21 ' A' ' 91' ' ' LEU . 35.8 m -92.51 167.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 60.3 ttp180 -126.13 129.52 49.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LEU . 60.7 m-85 -140.2 107.5 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 5.8 p -133.86 147.66 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.52 HG13 HD21 ' A' ' 14' ' ' LEU . 30.0 m -143.03 148.85 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.788 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 1.1 mp0 -100.93 155.93 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -126.87 126.23 42.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.07 -26.85 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -149.66 143.72 17.06 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.633 0.73 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.94 35.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.615 2.21 . . . . 0.0 112.359 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.87 -32.84 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.621 HD13 ' HB1' ' A' ' 9' ' ' ALA . 65.8 mt -69.03 134.21 49.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -85.47 167.93 15.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.553 HG21 ' HG3' ' A' ' 63' ' ' ARG . 17.4 m -136.02 139.93 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -143.69 123.86 13.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.596 ' HB3' HD12 ' A' ' 48' ' ' ILE . 54.7 m95 -93.41 141.79 28.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.546 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 98.0 m-85 -139.93 149.83 43.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -125.36 102.8 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 61.2 32.12 19.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.16 25.86 30.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -126.59 129.54 48.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -66.48 113.54 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 41' ' ' TRP . 61.9 mt -74.87 149.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.29 147.33 49.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.704 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 115.34 4.04 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.3 m -149.23 167.44 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 p -44.21 -31.97 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -74.65 -38.92 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -105.87 114.39 28.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mm -93.41 103.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -92.95 115.01 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -122.77 145.48 48.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.5 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 1.1 t-160 -140.2 111.49 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.72 87.62 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.05 -108.1 2.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.4 m -113.74 41.84 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HG2' ' CG2' ' A' ' 29' ' ' VAL . 6.8 tt0 -145.38 130.8 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HG3' HG21 ' A' ' 39' ' ' VAL . 79.4 mmt-85 -113.04 114.04 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.4 mt -99.21 155.22 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.755 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.4 tm? -151.2 129.14 11.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.755 ' N ' HD13 ' A' ' 65' ' ' LEU . 96.7 m-85 -121.97 137.71 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.527 ' HB ' HG22 ' A' ' 26' ' ' VAL . 46.0 mt -118.54 108.33 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -84.42 163.4 19.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 62.79 46.7 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.714 ' SG ' HG13 ' A' ' 26' ' ' VAL . 73.3 m -65.02 100.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.17 159.99 15.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -44.54 53.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.3 p -66.93 -37.27 84.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' SER . 1.1 m-20 -52.51 -43.56 65.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.427 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -36.89 95.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 74' ' ' ASP . 3.0 m -132.17 161.21 33.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.65 108.6 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -93.0 136.65 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 42' ' ' TYR . 13.9 p90 -144.52 134.42 23.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 p -113.68 150.25 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 p -121.43 137.54 54.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.581 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -148.54 111.88 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.461 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . 70.58 -113.06 4.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -115.95 16.81 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.835 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 20.2 mm-40 -131.57 159.74 37.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -165.86 148.98 7.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.68 174.53 10.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -143.12 168.01 20.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -146.93 165.74 28.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -116.34 126.54 53.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.979 HD21 HG11 ' A' ' 26' ' ' VAL . 1.9 tm? -96.76 126.3 41.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.797 ' N ' HD13 ' A' ' 91' ' ' LEU . 56.6 m-85 -117.83 99.36 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.826 HG22 ' H ' ' A' ' 95' ' ' SER . 2.3 p -96.2 116.65 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' SER . 32.3 mtp85 -53.28 -15.58 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.826 ' H ' HG22 ' A' ' 93' ' ' VAL . 29.1 t 36.66 33.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 22' ' ' LYS . . . -132.82 142.3 13.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.95 16.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.367 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -151.14 147.03 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.3 m -81.73 106.92 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 t -133.29 125.14 28.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -123.12 97.36 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.22 131.1 1.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -133.87 -42.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.357 . . . . 0.0 110.834 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -113.17 -52.61 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.12 104.31 1.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.67 112.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.732 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -112.87 -23.89 9.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -99.14 119.18 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.07 -33.14 57.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.28 109.75 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -78.27 171.82 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD11 HG11 ' A' ' 30' ' ' VAL . 3.8 mp -80.61 170.81 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.07 159.75 78.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.729 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.7 26.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.746 2.298 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.95 149.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -124.48 163.96 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -150.21 127.52 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG22 ' N ' ' A' ' 21' ' ' ASP . 8.0 p -138.73 163.22 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.514 ' N ' HG22 ' A' ' 20' ' ' VAL . 4.5 p-10 -81.94 141.23 33.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 55.7 tttt -37.25 148.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 39.76 30.67 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.68 -143.69 15.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -144.77 125.17 13.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.054 HG11 HD21 ' A' ' 91' ' ' LEU . 35.0 m -92.94 168.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 72.9 ttp85 -129.05 130.92 47.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -139.22 109.89 6.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -128.06 132.27 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG11 HD11 ' A' ' 14' ' ' LEU . 33.8 m -131.04 152.11 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -108.74 159.07 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.73 HD21 ' CG1' ' A' ' 39' ' ' VAL . 3.6 mt -131.07 124.73 31.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.61 -30.16 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 3.2 t70 -145.2 140.93 16.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.76 -17.91 37.31 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -63.44 -40.07 96.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.732 HD13 ' HB1' ' A' ' 9' ' ' ALA . 83.8 mt -63.73 155.66 29.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -111.11 153.28 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.73 ' CG1' HD21 ' A' ' 32' ' ' LEU . 35.5 m -115.9 146.45 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -141.2 123.56 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -96.75 134.48 39.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 95.9 m-85 -132.08 151.21 51.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -132.69 108.45 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 61.62 42.17 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.67 36.07 67.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -141.53 135.64 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.18 128.8 37.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.2 mt -88.21 134.46 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -103.91 145.2 30.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.16 4.44 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 54' ' ' TYR . 2.5 t -152.85 162.21 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' SER . 53.2 p -35.4 -32.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' SER . 76.5 tttt -72.73 -47.17 49.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.503 ' CD1' HG12 ' A' ' 67' ' ' ILE . 99.3 m-85 -101.99 116.58 32.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mm -98.13 102.64 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.152 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -91.49 116.3 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -124.14 118.64 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.435 ' CD2' ' HD3' ' A' ' 63' ' ' ARG . 5.4 t-80 -111.25 122.3 47.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -130.92 94.14 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.58 -96.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.9 m -121.77 38.28 4.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.325 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -143.48 124.93 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.723 ' HG3' HG21 ' A' ' 39' ' ' VAL . 4.6 mmm180 -116.63 119.19 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 64' ' ' ILE . 3.9 mp -106.85 157.6 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.698 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.9 tm? -148.53 128.67 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.682 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.7 m-85 -122.37 131.84 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.503 HG12 ' CD1' ' A' ' 54' ' ' TYR . 65.9 mt -113.53 115.97 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -87.32 162.45 17.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m120 57.3 54.22 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.653 ' O ' HG21 ' A' ' 93' ' ' VAL . 59.7 m -70.24 99.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.588 ' O ' HG11 ' A' ' 93' ' ' VAL . 4.7 tp-100 -110.4 168.88 9.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.4 tpt -42.11 -58.96 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.3 p -48.71 -29.73 4.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 76' ' ' SER . 12.9 t70 -60.43 -43.6 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.2 OUTLIER -47.94 89.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 74' ' ' ASP . 84.7 p -135.94 172.11 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -92.2 106.81 18.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.68 145.77 24.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 38.3 p90 -147.91 134.99 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.24 139.57 37.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.588 HG22 ' HB2' ' A' ' 86' ' ' LYS . 25.8 p -118.08 141.31 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.5 111.46 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.443 ' CA ' HD22 ' A' ' 37' ' ' LEU . . . 76.41 -108.21 2.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.72 8.89 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -127.75 156.77 41.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.588 ' HB2' HG22 ' A' ' 81' ' ' THR . 16.4 pttm -155.86 151.83 27.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.0 t -129.81 172.94 11.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.4 p -145.77 153.06 40.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -142.88 162.45 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' OE1' ' CE2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -110.84 141.61 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.054 HD21 HG11 ' A' ' 26' ' ' VAL . 1.9 tm? -115.6 122.98 47.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.722 ' N ' HD13 ' A' ' 91' ' ' LEU . 49.9 m-85 -113.85 96.9 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.653 HG21 ' O ' ' A' ' 70' ' ' CYS . 5.4 p -98.23 114.01 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -58.02 157.75 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.5 p -113.07 -51.03 2.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -40.2 145.89 0.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 123.68 10.33 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.3 m -135.44 167.92 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.4 m -57.37 126.29 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.904 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -68.4 138.46 55.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 m -155.84 148.46 23.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.27 160.96 20.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -47.59 130.27 14.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -84.01 42.94 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.94 -87.3 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.73 47.61 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -64.71 -32.26 73.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 52.0 m-85 -91.14 115.59 28.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -77.14 -24.7 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -147.74 107.95 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 pt -80.69 162.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.596 HD21 HG13 ' A' ' 30' ' ' VAL . 5.8 mt -71.4 153.22 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.574 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -53.9 155.13 6.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.613 0.72 . . . . 0.0 110.878 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -11.45 30.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.9 131.33 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 36.7 m-85 -109.62 163.38 13.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 49.8 mt-30 -148.53 124.01 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.477 HG11 HG13 ' A' ' 26' ' ' VAL . 9.8 p -141.59 160.55 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' N ' HG22 ' A' ' 20' ' ' VAL . 6.1 m-20 -76.53 151.19 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 12.5 ttmm -50.9 155.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 39.58 34.66 0.46 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.47 -146.66 14.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -145.08 126.28 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.857 HG11 HD21 ' A' ' 91' ' ' LEU . 20.9 m -94.59 162.47 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.482 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 55.6 ttp180 -129.9 108.04 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -107.16 115.93 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.425 HG13 ' HG2' ' A' ' 62' ' ' GLN . 96.8 t -116.75 140.12 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 14' ' ' LEU . 6.6 m -142.41 144.16 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 11.7 tt0 -108.06 153.38 23.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 HG11 ' A' ' 39' ' ' VAL . 8.6 mt -128.32 118.7 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -38.56 -33.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -151.61 144.08 16.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -13.57 34.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.3 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -61.13 -39.62 90.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.784 HD13 ' HB1' ' A' ' 9' ' ' ALA . 52.2 mt -69.79 163.96 24.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -109.46 173.43 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.729 HG21 ' HG3' ' A' ' 63' ' ' ARG . 32.6 m -137.7 152.35 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -153.08 123.78 7.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.401 ' HB3' HD12 ' A' ' 48' ' ' ILE . 42.1 m95 -95.02 132.54 39.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.55 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 89.9 m-85 -127.01 147.37 50.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -133.69 100.35 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 73.15 39.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.5 37.09 68.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -145.98 139.55 26.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.708 0.29 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.22 131.32 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.539 HG23 ' CE2' ' A' ' 54' ' ' TYR . 71.2 mt -88.23 130.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -98.32 143.94 27.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 121.13 7.83 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -159.19 173.55 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.0 m -42.46 -26.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -82.49 -47.24 12.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.539 ' CE2' HG23 ' A' ' 48' ' ' ILE . 78.2 m-85 -101.24 117.62 35.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mm -108.34 113.82 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -96.01 125.06 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -138.49 124.46 20.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -104.59 117.33 33.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -126.28 87.17 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 52.2 100.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.52 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 60' ' ' GLY . 1.1 p 34.46 46.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' HG2' HG13 ' A' ' 29' ' ' VAL . 10.5 tt0 -152.23 110.29 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.729 ' HG3' HG21 ' A' ' 39' ' ' VAL . 21.0 mmt180 -93.88 120.14 33.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.555 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 8.4 mt -108.38 135.76 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.1 tm? -131.18 127.37 37.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.781 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.7 m-85 -118.46 131.52 56.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 65' ' ' LEU . 87.1 mt -114.82 104.17 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -79.06 156.01 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.1 t30 67.52 50.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' GLY . 84.1 m -72.93 104.84 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.445 ' NE2' ' HG2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -111.73 157.97 19.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.6 mmt -46.05 -32.48 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.2 p -72.15 -41.08 67.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' SER . 24.3 m-20 -55.21 -43.18 74.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.527 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -36.95 93.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' ASP . 9.1 t -133.41 165.18 25.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -80.29 107.6 13.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -93.69 140.86 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.55 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 32.4 p90 -146.04 131.56 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 81' ' ' THR . 7.7 p -110.79 152.68 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.573 HG22 ' HB2' ' A' ' 86' ' ' LYS . 51.7 p -128.97 142.78 50.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -155.49 117.21 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.48 -113.09 4.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -118.48 19.05 13.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -132.12 166.62 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.573 ' HB2' HG22 ' A' ' 81' ' ' THR . 14.8 ptmt -164.5 153.41 13.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.7 t -139.58 169.47 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.5 p -143.49 160.05 41.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 t -148.36 167.0 26.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -117.46 133.43 55.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.857 HD21 HG11 ' A' ' 26' ' ' VAL . 2.0 tm? -102.81 126.82 50.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.789 ' N ' HD13 ' A' ' 91' ' ' LEU . 64.6 m-85 -118.92 98.57 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.3 p -93.53 114.46 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -71.28 -177.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 p -111.97 120.36 41.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -133.19 163.96 24.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -174.12 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.2 m -155.35 148.88 25.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -130.85 125.77 34.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -136.75 143.35 43.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -43.5 -54.94 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.57 -58.56 1.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 t -102.14 44.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p -121.14 142.35 49.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.77 -122.11 2.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.31 113.45 2.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.589 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -98.94 -28.64 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 37.6 m-85 -104.12 108.77 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.66 -24.03 62.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -148.63 108.46 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.1 pt -82.34 167.5 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 30' ' ' VAL . 6.6 mt -78.76 152.26 31.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.7 m-20 -55.19 151.31 18.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.89 128.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 22.6 m-85 -107.94 165.58 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -149.29 123.63 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG22 ' H ' ' A' ' 21' ' ' ASP . 4.8 p -140.71 165.77 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.486 ' H ' HG22 ' A' ' 20' ' ' VAL . 4.1 p-10 -86.15 146.61 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.7 tttt -44.04 157.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 36.6 31.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -102.91 -148.36 20.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 15.7 ttp-105 -141.43 128.17 20.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.851 HG11 HD21 ' A' ' 91' ' ' LEU . 31.5 m -96.15 168.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 20.7 ttp-105 -126.53 126.11 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' LEU . 37.7 m-85 -136.22 107.99 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 p -125.95 136.15 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.76 HG11 HG11 ' A' ' 80' ' ' VAL . 13.3 m -127.08 137.13 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -102.63 138.84 39.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.558 HD21 HG12 ' A' ' 39' ' ' VAL . 4.8 mt -114.99 135.27 54.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.06 -23.84 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -156.41 142.27 12.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -16.13 37.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -57.0 -34.56 68.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD13 ' HB1' ' A' ' 9' ' ' ALA . 33.1 mt -78.26 153.42 31.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -105.6 147.0 28.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.758 HG21 ' HG3' ' A' ' 63' ' ' ARG . 27.9 m -106.89 148.2 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 18.7 mtmt -147.11 123.99 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.428 ' HB3' HD12 ' A' ' 48' ' ' ILE . 74.2 m95 -96.35 143.97 26.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.554 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.7 m-85 -142.38 146.29 34.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -130.05 102.39 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.8 t30 69.46 41.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.74 35.05 73.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -142.31 136.3 29.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -66.81 132.05 47.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 41' ' ' TRP . 95.8 mt -87.42 140.29 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -110.33 142.05 25.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 117.99 5.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -149.42 178.66 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 t -55.28 -17.27 4.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -90.25 -34.42 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -105.76 122.01 45.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mm -106.04 106.49 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -98.86 121.23 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -125.19 163.28 22.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -135.63 124.67 24.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' HB3' ' NE2' ' A' ' 62' ' ' GLN . 20.6 ttmm -131.21 86.26 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 37.08 91.78 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.7 m 57.7 42.91 22.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 59' ' ' LYS . 5.4 tt0 -150.19 129.96 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.758 ' HG3' HG21 ' A' ' 39' ' ' VAL . 12.0 mmm180 -120.25 111.08 17.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.8 mp -101.34 155.53 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.6 tm? -146.64 128.34 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 98.4 m-85 -124.05 119.35 29.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.7 mt -101.97 118.62 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -92.49 167.0 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 61.24 41.06 13.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 93.3 m -65.04 100.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.405 ' NE2' ' HE2' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -102.09 152.29 21.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.491 ' HA ' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -45.39 -38.37 5.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.6 p -69.23 -41.63 76.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -51.02 -42.0 60.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.736 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -34.46 96.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' ASP . 8.7 t -134.36 172.82 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.38 135.93 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -123.33 154.48 38.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 32.9 p90 -159.28 135.21 8.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.76 HG11 HG11 ' A' ' 30' ' ' VAL . 11.0 p -114.52 140.48 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 86' ' ' LYS . 43.8 p -115.6 144.66 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.614 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -156.19 106.89 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.57 -118.66 5.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.27 19.22 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -134.93 162.26 32.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' HB2' HG22 ' A' ' 81' ' ' THR . 32.7 pttt -165.78 151.25 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.76 166.91 20.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.9 p -136.94 146.97 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.4 t -139.97 157.51 45.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.41 137.85 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.851 HD21 HG11 ' A' ' 26' ' ' VAL . 2.9 tm? -105.01 126.9 52.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.655 ' N ' HD13 ' A' ' 91' ' ' LEU . 59.6 m-85 -117.92 96.23 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.736 HG12 ' HB2' ' A' ' 75' ' ' ASP . 2.7 p -98.95 113.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 11.9 mtp-105 -65.31 153.44 41.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 t -111.76 104.79 13.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.38 -105.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.437 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.51 0.64 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -95.68 -50.73 4.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 t -63.84 118.49 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 t -168.35 155.9 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -119.95 169.81 9.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.65 87.87 0.55 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -119.43 154.78 33.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -110.09 -54.58 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.07 46.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.27 106.25 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.26 -31.91 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 31.3 m-85 -103.25 102.48 12.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.04 68.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' N ' ' HB3' ' A' ' 31' ' ' GLU . 39.1 tptt -148.23 111.19 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 pt -84.84 172.04 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.7 178.64 8.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.1 m-20 -80.36 158.41 71.68 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.63 0.729 . . . . 0.0 110.88 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -14.0 35.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.52 133.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 18.4 m-85 -107.96 166.52 10.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -148.07 125.24 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.473 ' HB ' HG12 ' A' ' 26' ' ' VAL . 7.0 p -142.07 164.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' N ' HG22 ' A' ' 20' ' ' VAL . 61.5 m-20 -87.87 145.82 25.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 12.6 ttmm -42.02 154.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.42 36.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.99 -143.51 12.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -145.11 122.85 11.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.667 HG11 HD21 ' A' ' 91' ' ' LEU . 24.0 m -94.56 163.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -122.65 125.52 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -135.43 107.39 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -127.36 152.47 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 80' ' ' VAL . 16.3 m -142.9 165.91 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HB3' ' N ' ' A' ' 12' ' ' LYS . 26.8 tt0 -125.32 153.49 43.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mt -131.28 128.82 40.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.47 -25.35 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -154.88 142.2 13.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.718 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.05 37.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.317 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -55.46 -40.74 71.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.29 157.81 37.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -105.28 168.13 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.0 m -128.18 148.81 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -150.06 123.43 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.5 ' HB3' HD12 ' A' ' 48' ' ' ILE . 65.8 m95 -95.55 132.61 40.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.576 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 96.3 m-85 -128.56 141.82 51.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.001 0.429 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -124.77 102.03 7.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 70.03 37.91 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.75 35.21 55.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -144.69 132.51 21.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -62.03 134.81 57.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 41' ' ' TRP . 77.3 mt -91.5 137.92 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -100.09 136.84 20.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 122.53 9.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 t -159.96 174.85 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -42.83 -35.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -70.51 -46.46 63.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -101.13 113.87 27.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mm -98.07 106.99 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -96.75 119.12 34.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' O ' HD12 ' A' ' 64' ' ' ILE . 65.7 mm-40 -133.35 129.36 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -111.37 127.59 55.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -147.65 110.58 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 44.02 88.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.535 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 60' ' ' GLY . 24.5 p 34.28 46.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -148.31 111.75 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -103.73 125.01 49.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 57' ' ' GLU . 3.4 mp -108.95 147.14 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.8 tm? -137.09 126.92 25.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.447 ' N ' HD13 ' A' ' 65' ' ' LEU . 73.3 m-85 -120.38 127.71 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.5 mt -114.08 113.62 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -88.64 157.92 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 67.55 48.77 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.507 ' SG ' HG13 ' A' ' 26' ' ' VAL . 81.7 m -70.17 97.63 1.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -101.0 155.01 18.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.485 ' HA ' HG13 ' A' ' 93' ' ' VAL . 13.4 mtp -42.54 -40.97 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.7 p -65.49 -36.62 84.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 76' ' ' SER . 6.2 t0 -50.4 -45.93 55.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -34.84 93.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 74' ' ' ASP . 1.1 t -134.72 168.53 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -84.75 125.74 32.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -113.25 143.82 43.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.5 p90 -151.27 127.15 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 30' ' ' VAL . 11.3 p -106.24 143.54 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.7 p -116.45 135.78 53.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -145.12 106.71 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.36 -113.18 4.16 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.26 18.52 16.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -137.8 157.38 46.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -163.53 157.41 19.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.0 177.81 7.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -144.32 164.83 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -150.78 168.38 24.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -121.9 130.69 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.667 HD21 HG11 ' A' ' 26' ' ' VAL . 3.4 tm? -100.05 130.77 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.55 ' N ' HD13 ' A' ' 91' ' ' LEU . 47.7 m-85 -122.97 93.36 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.485 HG13 ' HA ' ' A' ' 72' ' ' MET . 1.6 p -92.58 115.18 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -82.69 174.2 11.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -97.57 113.93 25.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.71 -173.56 13.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.54 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.01 22.76 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.747 2.298 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.0 p -137.44 134.78 36.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.7 t -143.77 170.61 15.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -47.77 119.6 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -75.09 85.27 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.67 175.32 54.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -133.8 99.27 4.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.37 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -87.62 148.3 24.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.2 99.53 0.53 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.445 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.44 123.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.615 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -123.09 -23.86 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 17.1 m-85 -102.15 105.82 16.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.714 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -63.06 -33.05 74.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -146.53 127.22 14.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 pt -93.99 152.6 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD12 ' H ' ' A' ' 14' ' ' LEU . 2.7 mp -64.47 156.26 30.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 2.4 m-20 -55.27 152.36 15.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.836 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.94 24.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.78 130.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 19.5 m-85 -111.36 167.0 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -148.55 123.62 10.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.524 ' HB ' HG12 ' A' ' 26' ' ' VAL . 5.1 p -140.14 162.9 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 20' ' ' VAL . 75.5 m-20 -82.71 150.47 26.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 24' ' ' GLY . 30.5 tttp -47.59 156.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.11 32.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -101.12 -144.53 15.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -144.73 124.91 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 HD21 ' A' ' 91' ' ' LEU . 15.8 m -94.32 168.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 41.7 ttp180 -131.31 128.54 39.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -135.65 109.45 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -123.88 141.63 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.437 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 34.3 m -143.31 150.34 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.714 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 9.7 mp0 -100.8 152.13 20.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' A' ' 39' ' ' VAL . 7.5 mt -124.25 115.51 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.94 -28.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 68.4 m-20 -153.53 145.89 17.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.0 29.3 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -59.16 -40.24 84.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.615 HD13 ' HB1' ' A' ' 9' ' ' ALA . 94.4 mt -60.68 145.75 48.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -95.51 161.26 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.565 ' CG1' HD21 ' A' ' 32' ' ' LEU . 20.4 m -129.81 140.04 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 17.9 mmtp -140.75 127.97 20.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.419 ' HB3' HD12 ' A' ' 48' ' ' ILE . 52.2 m95 -100.37 133.26 45.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 47' ' ' GLU . 90.4 m-85 -129.66 152.47 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 43.4 tttt -133.16 100.78 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.3 t30 66.04 45.1 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.96 34.63 71.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -140.25 120.29 13.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 42' ' ' TYR . 20.6 tt0 -56.93 134.53 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 41' ' ' TRP . 57.4 mt -96.1 134.92 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -106.67 144.21 28.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 122.19 8.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -157.43 -177.51 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 t -51.89 -21.64 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 54' ' ' TYR . 19.6 ttpt -87.3 -46.47 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.52 ' CD1' HG12 ' A' ' 67' ' ' ILE . 94.4 m-85 -100.63 118.66 37.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mm -101.53 106.1 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -93.23 115.73 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -124.65 154.46 40.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 8.5 p-80 -137.37 117.31 13.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -129.65 85.87 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.28 99.13 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.9 m 40.52 40.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -147.12 108.11 4.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.499 ' HG3' HG21 ' A' ' 39' ' ' VAL . 23.9 mmt180 -102.97 114.62 29.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.48 HG21 ' CE2' ' A' ' 66' ' ' PHE . 3.7 mp -101.22 153.83 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.832 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.3 tm? -144.17 126.57 15.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.832 ' N ' HD13 ' A' ' 65' ' ' LEU . 96.5 m-85 -121.27 134.8 55.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CD1' ' A' ' 54' ' ' TYR . 50.9 mt -117.84 118.4 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -90.78 160.96 15.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 62.3 51.83 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' GLY . 71.9 m -69.8 101.04 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.75 160.33 15.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.8 tpt -42.65 -41.29 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -63.63 -37.51 87.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 76' ' ' SER . 6.3 t0 -52.54 -44.08 65.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.603 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.0 OUTLIER -45.1 90.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 74' ' ' ASP . 1.4 t -136.4 173.5 11.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.56 107.27 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 43' ' ' LYS . 36.6 m-85 -97.2 151.86 19.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 30.2 p90 -157.95 134.99 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.594 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 10.8 p -108.68 147.33 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.104 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.6 p -122.18 136.2 54.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.95 109.47 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.57 -110.73 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -119.31 20.66 12.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 5.8 mm-40 -132.85 161.85 33.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -162.37 146.61 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.437 ' SG ' HD12 ' A' ' 14' ' ' LEU . 7.2 p -131.08 158.03 41.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.5 p -132.92 155.3 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.1 t -143.39 170.41 15.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -122.04 124.68 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 92' ' ' PHE . 3.4 tm? -97.76 134.26 41.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.633 ' N ' HD13 ' A' ' 91' ' ' LEU . 63.6 m-85 -124.69 95.45 4.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.603 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.4 p -91.85 114.48 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -61.82 171.19 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.2 p -122.32 104.67 9.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 146.22 148.72 4.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 98' ' ' SER . 53.7 Cg_endo -69.75 140.98 44.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 97' ' ' PRO . 10.1 t -34.61 -51.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' SER . 30.3 t -36.66 105.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -108.6 102.36 11.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -105.11 43.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.81 157.95 30.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.8 p -158.62 172.98 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -95.09 -63.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.95 -105.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.49 121.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.1 -32.87 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 45.7 m-85 -92.95 105.79 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.07 65.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -152.88 109.29 3.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.7 pp -82.43 158.57 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.3 mt -64.79 147.89 52.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.581 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.3 m-20 -49.45 161.1 0.51 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -15.18 36.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.45 134.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 29.1 m-85 -110.35 162.15 14.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.417 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 54.1 mt-30 -148.44 126.75 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.53 HG11 HG13 ' A' ' 26' ' ' VAL . 6.3 p -138.64 158.46 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -78.94 143.82 35.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 11.2 ttmt -43.81 152.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 42.23 34.01 1.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.31 -144.44 11.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.513 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 16.2 ttm105 -144.7 127.0 15.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.627 HG11 HD21 ' A' ' 91' ' ' LEU . 10.0 m -93.61 159.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -127.27 114.01 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -116.42 108.52 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.5 HG13 ' OE1' ' A' ' 62' ' ' GLN . 56.9 t -108.29 142.84 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 63' ' ' ARG . 20.5 m -142.99 135.88 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -99.53 160.66 14.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -138.71 129.67 26.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.15 -25.07 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -149.87 143.28 16.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.566 0.698 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -29.36 24.22 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -56.34 -29.0 60.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 13.5 mt -65.03 153.42 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -111.14 145.64 38.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG21 ' HG3' ' A' ' 63' ' ' ARG . 18.5 m -111.86 145.41 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -145.11 123.48 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.427 ' HB3' HD12 ' A' ' 48' ' ' ILE . 45.1 m95 -97.32 128.48 44.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.558 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 97.1 m-85 -126.08 150.83 47.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -129.76 102.38 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 m120 64.04 33.46 12.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.93 25.48 40.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -127.83 134.71 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.01 126.87 30.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' A' ' 41' ' ' TRP . 61.0 mt -90.13 134.9 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -107.77 143.61 27.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.688 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 118.95 5.99 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.334 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 54' ' ' TYR . 20.9 p -149.2 173.18 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.7 m -40.92 -31.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -79.41 -40.6 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' SER . 72.3 m-85 -102.09 113.98 27.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.5 mm -101.3 102.68 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -85.5 116.68 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -125.17 149.34 48.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 7.2 p-80 -136.34 126.15 25.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -138.95 106.24 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 46.65 97.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 60' ' ' GLY . 23.5 m 34.43 48.86 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.76 0.314 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.5 ' OE1' HG13 ' A' ' 29' ' ' VAL . 2.3 tt0 -146.78 142.95 28.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 30' ' ' VAL . 25.9 mmt180 -130.08 120.86 25.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -111.75 153.62 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.684 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.9 tm? -139.35 127.6 22.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.674 ' N ' HD13 ' A' ' 65' ' ' LEU . 94.2 m-85 -118.03 139.96 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.411 HG13 ' CD1' ' A' ' 65' ' ' LEU . 60.5 mt -127.57 100.43 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -74.32 158.4 34.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 65.63 50.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' GLY . 86.7 m -69.9 100.5 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' HG11 ' A' ' 93' ' ' VAL . 6.5 tp-100 -109.28 166.94 10.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.6 tpp -43.72 -44.85 6.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.8 p -61.43 -32.87 72.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 76' ' ' SER . 26.2 t0 -56.7 -44.48 81.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.848 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.738 ' HB2' HG12 ' A' ' 93' ' ' VAL . 1.0 OUTLIER -48.3 88.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' ASP . 0.9 OUTLIER -136.37 170.85 15.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -82.23 132.17 35.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CE1' ' O ' ' A' ' 76' ' ' SER . 61.0 m-85 -123.05 143.13 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 20.2 p90 -148.45 125.97 11.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.475 HG12 ' SG ' ' A' ' 87' ' ' CYS . 11.9 p -104.99 145.6 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.6 p -121.32 136.36 54.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.598 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -147.21 110.46 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.96 -109.04 2.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -121.36 20.76 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.74 0.305 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -138.63 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 87' ' ' CYS . 0.2 OUTLIER -164.28 168.36 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 15.1 p -149.07 136.9 20.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.0 m -114.66 157.45 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -146.87 170.57 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -122.8 127.96 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 75' ' ' ASP . 3.2 tm? -97.24 136.31 37.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' N ' HD13 ' A' ' 91' ' ' LEU . 33.1 m-85 -128.66 93.47 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.738 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.6 p -92.67 108.51 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -66.87 170.5 6.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.7 p -116.55 92.85 3.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.7 150.29 5.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 98' ' ' SER . 53.4 Cg_endo -69.8 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' PRO . 22.8 t -36.11 105.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 m -76.73 93.5 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.832 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.988 . . . . . . . . 0 0 . 1 . 015 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 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -120.26 -60.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -128.0 112.17 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.75 78.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -86.82 -48.29 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -86.87 157.55 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -119.86 -50.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 66.84 39.42 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -58.55 -31.16 67.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.473 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 23.8 m-85 -95.95 109.68 22.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -66.01 -31.36 72.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -149.54 107.73 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.5 pp -77.34 149.37 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.837 ' O ' HD12 ' A' ' 13' ' ' ILE . 5.3 mp -48.75 145.31 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.446 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 1.2 m-20 -45.58 159.83 0.29 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -16.01 37.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.16 133.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 42.5 m-85 -107.61 157.74 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -143.12 126.06 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG11 HG13 ' A' ' 26' ' ' VAL . 5.5 p -143.13 161.55 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.158 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 20' ' ' VAL . 5.7 t0 -79.36 150.75 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' GLY . 18.3 ttpp -47.27 156.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 34.22 38.87 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.479 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.66 -146.95 13.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -141.96 127.85 19.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.728 HG11 HD21 ' A' ' 91' ' ' LEU . 5.4 m -96.66 168.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 70.9 ttp85 -136.81 108.1 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -107.66 112.54 25.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -112.26 142.57 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.478 HG11 HD11 ' A' ' 14' ' ' LEU . 27.2 m -145.73 135.7 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 34.0 mt-10 -101.85 145.97 28.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD21 HG12 ' A' ' 39' ' ' VAL . 4.2 mt -120.39 121.53 38.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.28 -35.36 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -143.66 143.89 25.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -25.99 28.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -54.05 -43.55 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.471 HD13 ' HB1' ' A' ' 9' ' ' ALA . 89.2 mt -62.91 145.91 54.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 39' ' ' VAL . 4.8 tp10 -96.61 157.25 15.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.804 HG21 ' HG3' ' A' ' 63' ' ' ARG . 28.4 m -121.1 141.23 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.494 ' O ' HG23 ' A' ' 80' ' ' VAL . 13.7 mtmm -137.93 126.88 24.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -99.5 135.8 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.577 ' CD1' ' HA ' ' A' ' 47' ' ' GLU . 94.7 m-85 -135.9 150.38 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -133.65 105.62 6.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 66.53 40.48 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' C ' ' HG3' ' A' ' 46' ' ' GLN . . . 68.67 38.35 85.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.405 ' HG3' ' C ' ' A' ' 45' ' ' GLY . 31.6 mt-30 -145.97 114.57 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 25.1 tt0 -48.16 141.87 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 54' ' ' TYR . 77.2 mt -101.48 138.3 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -104.13 143.3 26.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.03 4.37 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -156.81 174.46 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.8 m -40.84 -36.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -73.07 -47.02 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 48' ' ' ILE . 71.3 m-85 -103.02 114.0 27.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 mm -102.73 101.48 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -89.26 119.41 29.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -129.8 156.43 44.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -135.51 114.6 12.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -133.4 91.96 2.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 60.75 89.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' GLY . 81.8 m 34.43 40.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -140.73 105.9 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.804 ' HG3' HG21 ' A' ' 39' ' ' VAL . 19.5 mmt180 -92.49 121.16 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.451 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 9.8 mt -106.74 141.34 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.85 HD13 ' N ' ' A' ' 66' ' ' PHE . 1.4 tm? -131.88 126.36 34.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.85 ' N ' HD13 ' A' ' 65' ' ' LEU . 97.4 m-85 -117.58 130.97 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.495 ' CD1' ' CE2' ' A' ' 78' ' ' TYR . 72.7 mt -117.1 110.64 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -86.52 152.97 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.7 t30 72.76 51.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 77.7 m -73.3 108.55 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.484 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.7 OUTLIER -110.64 150.74 28.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.637 ' HA ' HG13 ' A' ' 93' ' ' VAL . 3.1 mtt -47.57 -49.69 25.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.6 p -65.57 -38.3 89.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' ASP . 7.6 m-20 -56.33 -42.24 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.496 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -34.49 113.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 m -136.99 171.41 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -91.18 107.31 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 67' ' ' ILE . 35.0 m-85 -87.06 153.58 21.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 19.1 p90 -158.51 123.13 4.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 40' ' ' LYS . 14.8 p -103.52 148.79 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.4 p -122.66 131.92 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -133.79 98.84 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.78 -114.26 4.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -107.97 30.56 6.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -148.34 171.88 15.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -163.09 168.25 21.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 13' ' ' ILE . 2.3 m -128.0 -174.97 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 p -163.68 143.49 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.2 t -148.69 165.81 30.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -119.89 129.43 54.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.728 HD21 HG11 ' A' ' 26' ' ' VAL . 3.5 tm? -96.16 126.45 41.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.428 ' N ' HD13 ' A' ' 91' ' ' LEU . 41.3 m-85 -122.21 93.14 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.637 HG13 ' HA ' ' A' ' 72' ' ' MET . 2.5 p -94.6 116.33 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -68.4 -178.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.6 p -121.44 77.3 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.23 -149.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 110.44 2.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.371 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.6 p -115.55 165.48 12.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 m -44.91 148.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -140.04 172.35 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -38.88 115.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.28 82.51 1.02 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -72.38 84.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 m -124.91 88.81 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.63 89.08 0.48 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.24 109.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.95 -36.76 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 17.7 m-85 -97.85 114.6 26.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.871 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -69.42 -28.68 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -152.21 107.01 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 pt -73.61 150.73 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.585 HD22 ' HD2' ' A' ' 28' ' ' PHE . 9.1 mt -54.56 145.29 19.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -50.5 156.88 1.38 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -13.55 34.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.06 137.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 7.7 m-85 -108.74 164.27 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -147.35 119.1 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.513 ' HB ' HG12 ' A' ' 26' ' ' VAL . 6.1 p -143.76 158.6 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.75 150.61 34.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' GLY . 20.9 ttpt -47.0 153.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 35.36 34.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -99.45 -143.98 15.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -144.12 120.62 11.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.601 HG13 ' SG ' ' A' ' 70' ' ' CYS . 34.0 m -92.98 168.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.63 ' NH2' HG21 ' A' ' 29' ' ' VAL . 25.2 ttt-85 -139.3 108.02 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.585 ' HD2' HD22 ' A' ' 14' ' ' LEU . 5.1 m-85 -104.94 108.49 20.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.63 HG21 ' NH2' ' A' ' 27' ' ' ARG . 98.0 t -104.93 139.8 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 63' ' ' ARG . 26.8 m -144.05 141.6 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.871 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -107.87 153.58 22.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 HH11 ' A' ' 63' ' ' ARG . 6.3 mt -127.95 134.35 49.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.99 -31.38 60.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -153.97 143.71 15.29 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.655 0.741 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.47 16.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.73 2.287 . . . . 0.0 112.376 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -71.55 -33.2 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.62 162.2 29.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -106.4 169.76 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.0 HG21 ' HG2' ' A' ' 63' ' ' ARG . 16.6 m -139.89 139.54 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 43.2 mttt -144.3 124.02 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.436 ' C ' HD12 ' A' ' 48' ' ' ILE . 51.1 m95 -96.32 132.31 41.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.586 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 95.5 m-85 -127.87 149.33 50.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -132.08 105.96 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.9 m120 64.94 42.37 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.7 35.75 74.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -140.94 121.31 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 42' ' ' TYR . 49.2 tt0 -57.05 129.32 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.436 HD12 ' C ' ' A' ' 41' ' ' TRP . 23.8 mt -92.4 143.12 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.66 147.11 39.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 119.29 6.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.396 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' THR . 31.9 p -157.74 171.71 19.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' SER . 24.5 p -35.87 -38.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.157 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -74.91 -49.48 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -102.88 114.49 28.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mm -102.36 107.31 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -88.93 115.59 26.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -116.26 116.93 28.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -103.5 111.73 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -120.19 87.47 2.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.11 -87.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.2 m -129.39 42.65 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.483 HE21 HD11 ' A' ' 64' ' ' ILE . 10.9 tt0 -147.11 109.14 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 1.0 ' HG2' HG21 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -97.57 105.93 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.483 HD11 HE21 ' A' ' 62' ' ' GLN . 3.6 mp -95.98 151.12 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.563 HD13 ' N ' ' A' ' 66' ' ' PHE . 3.1 tm? -138.35 127.69 24.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.563 ' N ' HD13 ' A' ' 65' ' ' LEU . 98.0 m-85 -115.8 125.41 52.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.437 ' HB ' HG22 ' A' ' 26' ' ' VAL . 25.3 mt -112.14 109.26 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -86.8 159.61 19.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 65.71 39.08 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.654 ' O ' HG21 ' A' ' 93' ' ' VAL . 92.1 m -61.75 99.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.41 146.03 26.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.639 ' HA ' HG13 ' A' ' 93' ' ' VAL . 59.2 tpp -50.81 -41.81 57.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 t -74.22 -18.36 60.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.77 -27.56 36.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.603 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -46.16 113.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.5 m -136.72 173.17 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -89.95 107.02 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -89.28 147.51 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 34.8 p90 -148.85 128.92 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.56 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 8.2 p -107.74 145.64 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.516 HG22 ' CB ' ' A' ' 86' ' ' LYS . 67.1 p -121.12 132.86 55.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.506 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -134.8 99.67 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.28 -113.1 4.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.18 26.03 11.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -142.86 159.67 41.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.516 ' CB ' HG22 ' A' ' 81' ' ' THR . 8.0 pttp -166.16 151.04 8.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 18.8 p -131.14 172.53 12.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 m -138.74 157.63 45.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 t -150.41 164.08 36.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -114.44 134.92 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 75' ' ' ASP . 2.4 tm? -104.43 121.46 43.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.482 ' N ' HD22 ' A' ' 91' ' ' LEU . 56.7 m-85 -113.14 93.38 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.654 HG21 ' O ' ' A' ' 70' ' ' CYS . 2.7 p -95.11 111.94 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -58.93 171.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 t -115.12 -72.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.53 123.49 0.68 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -30.22 22.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -71.49 100.25 2.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.1 t -48.34 156.55 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -146.24 170.44 16.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -57.57 106.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.93 -132.4 5.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 m -154.93 174.07 15.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -99.9 -53.39 3.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.04 -120.33 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.07 38.7 29.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.07 65.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 44.6 m-85 -106.74 110.3 22.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.27 -26.87 47.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 108.73 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.3 pt -82.09 175.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.565 HD11 HG11 ' A' ' 30' ' ' VAL . 3.6 mp -85.85 155.17 21.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.11 153.8 6.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.72 21.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.284 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.04 128.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -107.45 161.06 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -144.13 128.52 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.544 ' HB ' HG12 ' A' ' 26' ' ' VAL . 4.3 p -144.11 165.14 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.465 ' H ' HG22 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -84.6 155.82 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -54.66 154.51 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.437 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . 41.33 28.75 0.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.17 -145.96 17.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -145.96 128.83 16.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.605 HG13 ' SG ' ' A' ' 70' ' ' CYS . 20.3 m -94.56 168.51 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.489 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 27.5 ttm180 -133.46 121.65 22.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -122.58 107.99 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.811 HG13 ' OE1' ' A' ' 62' ' ' GLN . 45.7 t -108.02 140.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG11 HD11 ' A' ' 14' ' ' LEU . 25.3 m -148.27 136.63 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -102.93 162.54 12.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD21 ' CG1' ' A' ' 39' ' ' VAL . 5.7 mt -132.08 127.75 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.04 -20.35 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -158.56 144.44 12.35 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.35 24.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.262 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -58.2 -24.39 58.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -74.55 140.59 44.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -89.54 164.53 14.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.491 HG21 ' HG3' ' A' ' 63' ' ' ARG . 13.5 m -136.5 143.57 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 23.3 mmtp -144.73 125.3 14.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -96.37 135.11 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 93.7 m-85 -135.31 149.64 49.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -129.6 112.71 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 55.93 29.69 14.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.32 28.38 27.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.07 122.76 36.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HA ' ' CD1' ' A' ' 42' ' ' TYR . 44.0 tt0 -63.3 115.43 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.6 mt -85.39 137.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 153.83 48.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 121.07 7.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.384 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' TYR . 3.9 m -160.18 169.46 23.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 74.6 m -37.92 -37.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -75.48 -43.32 49.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' SER . 57.6 m-85 -103.49 113.95 27.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mm -98.56 103.65 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -89.63 116.14 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -123.25 158.69 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -140.67 125.5 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -145.62 109.15 4.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' CYS . . . 51.56 88.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 60' ' ' GLY . 44.4 m 33.63 43.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.761 0.315 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.811 ' OE1' HG13 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -145.96 132.25 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.491 ' HG3' HG21 ' A' ' 39' ' ' VAL . 13.4 mmm180 -117.61 129.58 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.501 HD11 ' NE2' ' A' ' 62' ' ' GLN . 3.9 mp -111.32 150.36 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.569 HD13 ' N ' ' A' ' 66' ' ' PHE . 3.3 tm? -134.4 128.97 34.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' N ' HD13 ' A' ' 65' ' ' LEU . 78.1 m-85 -119.32 128.05 53.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 65' ' ' LEU . 50.4 mt -116.17 113.2 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -90.91 156.9 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 74.96 42.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.605 ' SG ' HG13 ' A' ' 26' ' ' VAL . 94.2 m -65.92 102.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.529 ' O ' HG11 ' A' ' 93' ' ' VAL . 6.0 tp-100 -107.19 151.3 25.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.617 ' HA ' HG13 ' A' ' 93' ' ' VAL . 2.8 mmt -50.55 -46.74 57.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.8 p -69.27 -29.69 67.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 75' ' ' ASP . 2.2 m-20 -66.17 -40.01 90.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.634 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.7 OUTLIER -34.24 110.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -137.13 170.49 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.25 132.6 34.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -115.05 144.03 44.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 28.4 p90 -153.13 123.02 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 p -101.75 145.18 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.9 p -117.72 143.23 46.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.534 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -155.87 113.77 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.26 -109.99 2.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -120.83 12.07 11.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -129.71 167.62 17.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -166.07 152.35 9.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 13.1 p -126.06 169.43 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 p -142.0 158.64 43.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 t -150.77 165.26 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -118.02 130.94 56.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 75' ' ' ASP . 3.2 tm? -97.12 129.69 44.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -122.77 96.56 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.617 HG13 ' HA ' ' A' ' 72' ' ' MET . 2.3 p -95.97 122.38 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 12.8 mtp-105 -82.3 149.34 27.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.415 ' N ' ' HE2' ' A' ' 72' ' ' MET . 42.2 t -134.33 83.17 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -114.22 139.14 15.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 98' ' ' SER . 53.4 Cg_endo -69.81 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' PRO . 91.2 p 36.13 39.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 87.7 p -111.99 -4.83 14.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m 41.47 42.59 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -91.91 90.22 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.77 -66.54 0.32 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m 39.2 43.47 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m -141.05 125.39 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.91 -94.32 1.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.07 117.53 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -110.09 -32.94 6.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.611 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 61.1 m-85 -94.72 125.24 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -84.9 -22.83 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -153.48 107.49 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.6 pt -79.18 166.71 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 30' ' ' VAL . 4.2 mp -80.22 155.05 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 61.8 m-20 -54.32 153.16 10.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.722 . . . . 0.0 110.885 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -8.91 24.81 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.71 134.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 22.1 m-85 -111.83 165.87 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -147.13 125.46 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.572 HG11 HG13 ' A' ' 26' ' ' VAL . 4.7 p -145.05 161.49 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -82.49 156.87 23.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.2 ttmt -51.17 152.31 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 36.02 35.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -99.35 -141.48 12.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -143.5 124.8 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.89 HG11 HD21 ' A' ' 91' ' ' LEU . 6.8 m -99.62 164.64 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 25.7 ttm180 -129.33 128.27 42.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.476 ' HZ ' HD23 ' A' ' 91' ' ' LEU . 66.9 m-85 -136.18 107.6 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -123.43 152.53 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 14' ' ' LEU . 8.1 m -148.76 143.43 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 10.1 tt0 -99.29 160.01 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -134.36 132.88 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.57 -32.72 67.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -147.22 143.58 18.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.93 37.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -63.35 -34.54 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.627 HD13 ' HB1' ' A' ' 9' ' ' ALA . 79.1 mt -67.25 155.04 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.02 153.69 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.602 HG11 ' HG3' ' A' ' 63' ' ' ARG . 30.1 m -118.28 146.76 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 21.0 mmtp -149.21 123.5 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.46 ' HB3' HD12 ' A' ' 48' ' ' ILE . 63.1 m95 -96.3 128.15 42.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.582 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 98.6 m-85 -125.56 144.31 50.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -128.51 109.87 11.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.5 m120 62.93 35.26 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.87 36.83 40.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -144.86 141.04 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -68.83 136.72 53.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 41' ' ' TRP . 50.8 mt -96.15 131.08 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -104.36 143.89 27.59 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.9 12.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 t -155.05 178.59 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 t -49.69 -18.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 54' ' ' TYR . 28.5 ttpt -91.94 -41.78 10.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.677 ' C ' HD12 ' A' ' 55' ' ' ILE . 73.5 m-85 -100.87 113.92 27.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.677 HD12 ' C ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -106.26 101.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -87.54 132.42 34.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.66 119.38 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -97.37 118.12 33.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -130.01 86.5 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.83 -115.45 7.57 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 m -99.28 38.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -138.83 143.83 39.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.602 ' HG3' HG11 ' A' ' 39' ' ' VAL . 82.0 mmt-85 -127.31 112.77 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.68 151.24 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.6 tm? -146.48 128.42 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.677 ' N ' HD13 ' A' ' 65' ' ' LEU . 86.9 m-85 -119.57 139.17 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 26' ' ' VAL . 31.6 mt -120.16 102.24 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -76.87 159.39 30.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 64.63 51.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.498 ' SG ' HG13 ' A' ' 26' ' ' VAL . 77.6 m -73.69 98.09 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.525 ' O ' HG11 ' A' ' 93' ' ' VAL . 12.4 tp-100 -101.77 159.74 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.1 mtp -41.92 -55.83 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.7 p -53.06 -29.53 30.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 76' ' ' SER . 5.6 t0 -54.64 -49.22 71.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 74' ' ' ASP . 0.9 OUTLIER -34.6 93.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 74' ' ' ASP . 22.0 m -136.52 171.97 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -87.42 130.85 34.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -119.61 142.9 47.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 42' ' ' TYR . 27.2 p90 -150.55 130.6 13.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.4 p -110.8 144.92 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.8 p -114.13 145.14 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -158.8 107.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.44 -121.76 9.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -108.77 30.03 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.693 0.283 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -144.46 166.07 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -165.78 146.98 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.5 p -126.65 178.52 5.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.6 p -153.15 154.68 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 t -144.16 174.52 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -130.55 127.24 38.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.89 HD21 HG11 ' A' ' 26' ' ' VAL . 2.2 tm? -97.97 122.91 41.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.685 ' N ' HD13 ' A' ' 91' ' ' LEU . 38.3 m-85 -112.7 96.17 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.525 HG11 ' O ' ' A' ' 71' ' ' GLN . 2.1 p -93.19 122.18 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -83.29 176.52 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.0 t -111.45 110.36 20.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.11 123.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.53 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 103.12 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.4 m -52.7 143.78 15.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.3 m 60.25 41.04 17.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.486 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -109.22 46.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -111.01 91.84 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.68 -149.56 4.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -130.3 163.5 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -119.57 120.15 35.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.61 -124.08 3.43 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.0 124.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.612 ' HB1' HD13 ' A' ' 37' ' ' LEU . . . -113.4 -30.58 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 82' ' ' ALA . 48.4 m-85 -100.22 119.88 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 31' ' ' GLU . . . -84.1 -22.12 31.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -152.3 106.91 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -78.42 152.56 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.492 HD21 HG13 ' A' ' 30' ' ' VAL . 6.4 mt -59.87 144.16 49.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.548 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.9 m-20 -46.13 160.44 0.3 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 110.824 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -19.4 36.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -175.01 137.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 28.9 m-85 -109.22 172.01 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -150.57 122.16 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.612 ' HB ' HG12 ' A' ' 26' ' ' VAL . 10.0 p -139.58 169.58 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.597 ' H ' HG22 ' A' ' 20' ' ' VAL . 3.0 p-10 -89.38 139.84 30.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 20.1 ttpt -39.22 159.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 36.41 36.59 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.51 -148.45 11.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -144.5 123.76 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.863 HG11 HD21 ' A' ' 91' ' ' LEU . 24.3 m -95.21 169.03 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.564 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 27.0 ttt85 -130.26 120.53 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.503 ' CE2' HD13 ' A' ' 67' ' ' ILE . 23.2 m-85 -122.33 107.42 12.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.49 146.18 26.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG13 HD21 ' A' ' 14' ' ' LEU . 19.6 m -141.09 155.05 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 16.7 tt0 -103.47 158.18 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -131.18 133.13 45.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -19.12 65.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -154.73 141.53 13.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -27.4 26.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -63.18 -27.48 69.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.612 HD13 ' HB1' ' A' ' 9' ' ' ALA . 67.4 mt -67.28 132.77 48.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 169.44 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.36 143.15 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 2.0 mtmp? -145.92 125.04 12.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -95.79 135.28 37.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 67.8 m-85 -126.92 157.66 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 78' ' ' TYR . 20.2 tptp -133.64 135.4 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.3 t30 39.14 25.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . 87.94 35.04 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' LYS . 25.3 mt-30 -148.53 121.68 8.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.311 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -43.0 146.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.3 mt -107.08 139.93 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -103.7 140.0 20.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 113.65 3.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' TYR . 35.2 m -147.39 169.03 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.6 m -43.38 -30.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -71.87 -38.54 70.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' SER . 85.3 m-85 -106.69 122.94 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.0 mm -98.8 102.25 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -91.7 118.5 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -120.08 121.51 39.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.519 ' ND1' ' CZ ' ' A' ' 63' ' ' ARG . 3.3 t-160 -101.41 117.9 35.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 60' ' ' GLY . 5.6 ttmm -130.13 146.24 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 59' ' ' LYS . . . -30.48 116.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.7 m 40.68 49.5 2.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' LYS . 2.1 tt0 -168.61 137.1 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.519 ' CZ ' ' ND1' ' A' ' 58' ' ' HIS . 22.3 mmt180 -131.92 130.65 41.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 mp -119.57 151.44 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.837 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -147.09 131.42 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 27' ' ' ARG . 33.0 m-85 -119.68 147.96 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.633 HD11 ' CD1' ' A' ' 65' ' ' LEU . 3.8 mp -126.72 114.1 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -85.69 159.29 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.28 43.38 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.639 ' O ' HG21 ' A' ' 93' ' ' VAL . 88.4 m -66.91 96.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.575 ' O ' HG11 ' A' ' 93' ' ' VAL . 7.4 tp-100 -101.96 169.93 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.4 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -65.91 -15.99 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.8 t -92.17 -26.43 18.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.159 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.86 -37.29 55.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.754 ' HB3' HG12 ' A' ' 93' ' ' VAL . 8.9 p-10 -40.11 98.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.427 ' HB2' ' CE ' ' A' ' 43' ' ' LYS . 1.6 m -136.76 172.0 13.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -92.55 109.48 20.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 43' ' ' LYS . 18.2 m-85 -89.9 148.1 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 42' ' ' TYR . 46.6 p90 -142.66 132.12 23.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.589 HG12 ' SG ' ' A' ' 87' ' ' CYS . 10.6 p -108.75 155.43 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.407 ' N ' HG22 ' A' ' 80' ' ' VAL . 71.8 p -125.02 145.0 50.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.529 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . . . -155.71 107.65 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.58 -109.73 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.35 18.42 14.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -133.41 166.95 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -164.96 146.27 7.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.589 ' SG ' HG12 ' A' ' 80' ' ' VAL . 23.4 p -124.06 171.65 9.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.5 p -148.6 153.4 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.1 t -141.06 160.84 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -112.23 127.96 56.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.863 HD21 HG11 ' A' ' 26' ' ' VAL . 3.2 tm? -96.11 133.41 40.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.705 ' N ' HD13 ' A' ' 91' ' ' LEU . 38.1 m-85 -128.15 96.14 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.754 HG12 ' HB3' ' A' ' 75' ' ' ASP . 6.5 p -100.15 109.87 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -73.88 172.48 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 55.6 p -106.93 91.07 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.58 161.95 28.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.34 50.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.0 p -85.26 109.04 18.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.5 t -173.29 150.17 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -60.69 158.59 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m 56.13 44.03 25.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.65 172.83 28.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 m -126.78 109.54 12.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 p -91.36 134.99 34.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.87 98.0 0.95 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.69 117.89 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . -118.67 -32.94 4.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 82' ' ' ALA . 73.8 m-85 -93.78 120.27 33.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.89 -34.74 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -133.07 89.44 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.5 pt -68.63 165.06 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.5 HD21 HG13 ' A' ' 30' ' ' VAL . 4.6 mt -71.85 136.19 46.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.567 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 5.8 m-20 -38.93 156.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.655 0.74 . . . . 0.0 110.843 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -14.21 35.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.07 135.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 15' ' ' ASP . 27.6 m-85 -112.44 162.29 15.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HG3' ' C ' ' A' ' 18' ' ' TYR . 56.3 mt-30 -150.62 120.38 7.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.652 HG11 HG13 ' A' ' 26' ' ' VAL . 8.6 p -136.44 167.81 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.569 ' N ' HG22 ' A' ' 20' ' ' VAL . 10.5 m-20 -85.93 143.32 28.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HA ' ' CG2' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -42.27 156.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' CYS . . . 37.82 29.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -100.53 -147.74 21.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -143.16 123.39 13.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.977 HG11 HD21 ' A' ' 91' ' ' LEU . 9.9 m -95.28 155.67 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -121.19 118.75 30.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.474 ' HZ ' HD23 ' A' ' 91' ' ' LEU . 50.6 m-85 -119.11 107.86 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.639 HG22 HG23 ' A' ' 64' ' ' ILE . 96.7 t -111.1 137.34 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG13 HD21 ' A' ' 14' ' ' LEU . 35.9 m -134.97 125.93 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -97.73 142.99 28.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -118.02 131.27 56.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.7 -18.68 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' OD1' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -140.79 127.68 11.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.13 31.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -59.65 -43.34 93.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' OD1' ' A' ' 34' ' ' ASP . 88.2 mt -66.65 142.72 57.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -95.13 170.32 9.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.8 HG21 ' HG3' ' A' ' 63' ' ' ARG . 23.8 m -125.36 151.67 31.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -148.11 124.22 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.48 ' HB3' HD12 ' A' ' 48' ' ' ILE . 54.7 m95 -97.14 135.15 39.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.433 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 97.0 m-85 -133.6 155.52 49.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -132.62 98.99 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 61.99 43.23 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.27 32.0 56.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -137.2 120.53 16.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.74 0.305 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -57.5 135.91 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 41' ' ' TRP . 47.6 mt -97.65 135.62 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -110.65 147.35 36.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.01 6.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.8 p -148.3 -175.13 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 t -56.72 -20.84 24.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HE2' HG23 ' A' ' 67' ' ' ILE . 41.1 tttt -91.12 -40.01 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -102.54 120.54 40.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mm -110.69 111.54 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -94.65 114.36 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' HD12 ' A' ' 64' ' ' ILE . 91.2 mt-10 -122.83 131.12 53.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -111.96 122.71 48.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -134.87 87.83 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.57 96.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.8 m 40.74 47.45 2.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.757 0.313 . . . . 0.0 110.823 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -152.3 105.38 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.8 ' HG3' HG21 ' A' ' 39' ' ' VAL . 30.1 mmt180 -99.76 112.81 25.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.639 HG23 HG22 ' A' ' 29' ' ' VAL . 3.0 mp -103.54 144.7 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.72 HD13 ' N ' ' A' ' 66' ' ' PHE . 2.7 tm? -132.05 128.1 37.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.72 ' N ' HD13 ' A' ' 65' ' ' LEU . 70.7 m-85 -114.79 131.65 56.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.626 HG23 ' HE2' ' A' ' 53' ' ' LYS . 67.6 mt -119.77 105.43 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -85.22 168.07 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 62.24 40.97 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 23' ' ' GLY . 99.7 m -59.43 97.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -103.92 155.75 18.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 95' ' ' SER . 22.2 mmt -47.06 -27.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.8 p -80.77 -29.55 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 13.9 m-20 -62.9 -40.3 97.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.526 ' HB2' HG12 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -44.46 94.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 2.3 m -136.47 162.82 32.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -79.28 109.13 13.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 76' ' ' SER . 23.9 m-85 -95.23 144.59 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 42' ' ' TYR . 26.1 p90 -146.25 133.45 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.969 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -110.35 138.9 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.3 p -114.17 135.75 53.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 10' ' ' PHE . . . -145.82 107.92 4.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.7 -109.75 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -117.57 10.5 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 73.0 mm-40 -129.39 159.38 36.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -161.77 165.8 27.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 2.6 m -151.5 154.18 36.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.1 p -126.0 155.18 41.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.6 t -134.83 169.49 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.587 ' OE1' ' CD2' ' A' ' 92' ' ' PHE . 5.8 tm-20 -114.65 138.18 51.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.977 HD21 HG11 ' A' ' 26' ' ' VAL . 3.0 tm? -112.8 125.37 54.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.587 ' CD2' ' OE1' ' A' ' 90' ' ' GLU . 51.3 m-85 -122.81 93.46 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.526 HG12 ' HB2' ' A' ' 75' ' ' ASP . 1.5 p -89.75 110.5 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -79.63 173.8 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.478 ' HB3' ' CE ' ' A' ' 72' ' ' MET . 52.8 p -147.39 119.43 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.6 145.84 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.5 19.42 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.725 2.284 . . . . 0.0 112.325 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 p 38.91 46.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.7 t -69.78 107.12 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.997 . . . . . . . . 0 0 . 1 stop_ save_